SCHEMBL5534201

SCHEMBL5534201

COc1ccc2c(c1)c(CC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.84
PTGS1 P23219 4/20 0.84
AKR1C3 P42330 2/20 0.84
MAPT P10636 2/20 0.84
KMT2A Q03164 2/20 0.84
NPSR1 Q6W5P4 2/20 0.84
KDM4E B2RXH2 1/20 0.84
MEN1 O00255 1/20 0.84
PTGES O14684 1/20 0.84
ABCC3 O15438 1/20 0.84
ABCC4 O15439 1/20 0.84
ABCB11 O95342 1/20 0.84
MT-CO2 P00403 1/20 0.84
LMNA P02545 1/20 0.84
ALB P02768 1/20 0.84
CYP1A2 P05177 1/20 0.84
ABCB1 P08183 1/20 0.84
ALOX5 P09917 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
CXCL8 P10145 1/20 0.84

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15774078 0.93 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL28730750 0.91 PTGS2 (0.96) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL31211688 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL29353712 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL29525957 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL9300 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL14394799 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL11563010 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL3518614 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL3813031 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 US disclosed
US-20230293557-A1 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC CONDITIONS MEDICON PHARMACEUTICALS INC (US) 2023-09-21 US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 US disclosed
EP-4238571-A1 APPLICATION OF THYMIDINE DERIVATIVE IN PREPARATION OF DRUGS OnQuality Pharmaceuticals China Ltd. (CN) 2023-09-06 EP disclosed
US-11504428-B2 Photosensitizer and derivatives and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2022-11-22 US disclosed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20210030873-A1 PHOTOSENSITIZER AND DERIVATIVES AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2021-02-04 US disclosed
US-20200246330-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. (US) 2020-08-06 US disclosed
EP-3663286-A1 PHOTOSENSITIZER AND DERIVATIVES AND APPLICATION THEREOF Dalian University of Technology (CN) 2020-06-10 EP disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
WO-2014083476-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND LIPID DISORDERS KANDULA MAHESH (IN) 2014-06-05 WO disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 US disclosed
WO-2007088123-A2 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2007-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 PTGS2 217/4885PTGS1 44/4885AKR1C3 594/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885
US-11504428-B2 Photosensitizer and derivatives and application thereof PPOX, HCCS, QSOX1 PTGS2 607/4885PTGS1 445/4885AKR1C3 1883/4885
US-20230293557-A1 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC CONDITIONS PDE6C, PDE6H, PDE6D PTGS2 101/4885PTGS1 137/4885AKR1C3 191/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885
US-20200246330-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 PTGS2 18/4885PTGS1 9/4885AKR1C3 1203/4885
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof VEGFA, HPGDS, ALOX5 PTGS2 18/4885PTGS1 9/4885AKR1C3 1203/4885
US-20210030873-A1 PHOTOSENSITIZER AND DERIVATIVES AND APPLICATION THEREOF PPOX, HCCS, QSOX1 PTGS2 607/4885PTGS1 445/4885AKR1C3 1883/4885
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 PTGS2 18/4885PTGS1 9/4885AKR1C3 1203/4885
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 PTGS2 12/4885PTGS1 8/4885AKR1C3 1611/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 PTGS2 217/4885PTGS1 44/4885AKR1C3 594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.