SCHEMBL2238173

SCHEMBL2238173

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 1.00
▸ PTGS1 P23219 5/20 0.82
▸ AKR1C3 P42330 3/20 0.82
▸ AKR1C2 P52895 2/20 0.82
▸ KDM4E B2RXH2 1/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ PTGES O14684 1/20 0.82
▸ ABCC3 O15438 1/20 0.82
▸ ABCC4 O15439 1/20 0.82
▸ ABCB11 O95342 1/20 0.82
▸ MT-CO2 P00403 1/20 0.82
▸ LMNA P02545 1/20 0.82
▸ ALB P02768 1/20 0.82
▸ CYP1A2 P05177 1/20 0.82
▸ ABCB1 P08183 1/20 0.82
▸ ALOX5 P09917 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.82
▸ CXCL8 P10145 1/20 0.82
▸ AR P10275 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82

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
SCHEMBL8606314 0.92 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL17385243 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
Indomethacin SCHEMBL28301734 0.91 PTGS2 (0.92) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL5534201 0.90 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
Indomethacin SCHEMBL3518614 0.90 PTGS2 (1.00) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL15774078 0.90 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL31211688 0.90 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL14394799 0.90 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL11563010 0.90 PTGS2 (0.84) PTGS2PTGS1AKR1C3AKR1C2KDM4E
Indomethacin SCHEMBL9300 0.90 PTGS2 (1.00) PTGS2PTGS1AKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648110-B2 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2014-02-11 — — US claimed
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2011-08-11 — — US claimed
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-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-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 — — US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 — — 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
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
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 — — US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 — — US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 — — US disclosed
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2011-08-11 — — US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 — — US disclosed
US-7919653-B2 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2011-04-05 — — US disclosed
US-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-10-21 — — US disclosed
US-7776909-B2 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia DOMPE PHA.R.MA S.P.A. (IT) 2010-08-17 — — US disclosed
EP-2157429-A2 Method of inhibiting nonspecific interaction between molecules on solid phase support Reverse Proteomics Research Institute Co., Ltd (JP) 2010-02-24 — — EP disclosed
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 — — US disclosed
US-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia DOMPÉ FARMACEUTICI S.P.A. (IT) 2006-10-05 — — US disclosed
US-5811425-A PROSTAGLANDINS INHIBITOR FOR TREATING PAIN, FEVER, INFLAMMATION ABBOTT LABORATORIES (US) 1998-09-22 — — US 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 (9 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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A PTGS2 1/4885PTGS1 6/4885AKR1C3 2396/4885
US-20180162784-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-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-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 PTGS2 124/4885PTGS1 128/4885AKR1C3 390/4885
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 PTGS2 124/4885PTGS1 129/4885AKR1C3 391/4885
US-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia CXCR2, CXCR1, MMP8 PTGS2 121/4885PTGS1 52/4885AKR1C3 564/4885
US-20150374858-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-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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885AKR1C3 1610/4885

“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.

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