SCHEMBL860853

SCHEMBL860853

CCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.80
PTGS1 P23219 4/20 0.80
AKR1C3 P42330 3/20 0.80
AKR1C2 P52895 2/20 0.80
PPARG P37231 2/20 0.80
KDM4E B2RXH2 1/20 0.80
MEN1 O00255 1/20 0.80
PTGES O14684 1/20 0.80
ABCC3 O15438 1/20 0.80
ABCC4 O15439 1/20 0.80
ABCB11 O95342 1/20 0.80
MT-CO2 P00403 1/20 0.80
LMNA P02545 1/20 0.80
ALB P02768 1/20 0.80
CYP1A2 P05177 1/20 0.80
ABCB1 P08183 1/20 0.80
ALOX5 P09917 1/20 0.80
ADORA3 P0DMS8 1/20 0.80
CXCL8 P10145 1/20 0.80
AR P10275 1/20 0.80

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
SCHEMBL17354682 0.91 PTGS1 (0.84) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL4538035 0.91 PTGS1 (0.83) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL15215990 0.91 AKR1C3 (0.79) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL17385262 0.90 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL13653016 0.90 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL9040318 0.90 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL13653012 0.90 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL13653015 0.89 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL14394799 0.89 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL5534201 0.89 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023607-A1 METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS NATIONAL INSTITUTES OF HEALTH 2023-01-26 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
WO-2021158781-A1 METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-08-12 WO disclosed
EP-2932981-B1 Albumin-binding derivatives of GLP-1 NOVO NORDISK AS (DK) 2021-06-16 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
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
WO-2017045081-A1 TRANSDERMAL FORMULATIONS FOR DELIVERY OF PROPIONIC AND ACETIC ACID NSAIDS, AND THEIR USE IN THE TREATMENT OF NSAID-RESPONSIVE DISEASES AND CONDITIONS DELIVRA INC. (CA) 2017-03-23 WO disclosed
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US disclosed
US-9487536-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-11-08 US disclosed
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2009-08-13 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090042848-A1 COPPER COMPLEXES LAY PETER 2009-02-12 US disclosed
WO-2009000723-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE NICOX S.A. (FR) 2008-12-31 WO disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20070203058-A1 Novel Glp-1 Derivatives NOVO NORDISK A/S (DK) 2007-08-30 US disclosed
US-20070203058-A1 Novel Glp-1 Derivatives NOVO NORDISK A/S (DK) 2007-08-30 US disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US disclosed
WO-2005027978-A2 ALBUMIN-BINDING DERIVATIVES OF THERAPEUTIC PEPTIDES NOVO NORDISK A/S (DK) 2005-03-31 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-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS FASN, PTGS1, NOS2 PTGS2 5/4885PTGS1 2/4885AKR1C3 134/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 PTGS2 12/4885PTGS1 7/4885AKR1C3 761/4885
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 PTGS2 7/4885PTGS1 4/4885AKR1C3 626/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB PTGS2 2584/4885PTGS1 2480/4885AKR1C3 3607/4885
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-20230023607-A1 METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS DAO, DDO, DDOST PTGS2 4531/4885PTGS1 4460/4885AKR1C3 4582/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PTGS2 13/4885PTGS1 6/4885AKR1C3 2248/4885
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-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 PTGS2 3/4885PTGS1 1/4885AKR1C3 177/4885
US-20070203058-A1 Novel Glp-1 Derivatives GLP1R, GIPR, NPY4R PTGS2 4477/4885PTGS1 3636/4885AKR1C3 4359/4885
US-20090042848-A1 COPPER COMPLEXES SOD1, SOD3, CCL2 PTGS2 11/4885PTGS1 8/4885AKR1C3 950/4885

“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.