SCHEMBL347020

SCHEMBL347020

Cc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.58
PTGS1 P23219 6/20 0.58
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
CA12 O43570 5/20 0.56
CA5A P35218 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
CA3 P07451 2/20 0.56
CA6 P23280 2/20 0.56
CA7 P43166 2/20 0.56
PDPK1 O15530 2/20 0.56
CYP2C9 P11712 2/20 0.56
PTGES O14684 1/20 0.56
HDAC3 O15379 1/20 0.56
PDE5A O76074 1/20 0.56
ABCB11 O95342 1/20 0.56
MT-CO2 P00403 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL5312529 1.00 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL2466828 0.90 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL5314124 0.90 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL347440 0.90 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL2839074 0.90 CHRNA7 (0.53) PTGS2PTGS1CA1CA2CA9
SCHEMBL2464195 0.90 CHRNA7 (0.50) PTGS2PTGS1CA1CA2CA9
SCHEMBL5309196 0.90 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL2462524 0.89 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA9
SCHEMBL2465743 0.88 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA9
SCHEMBL347479 0.87 CA1 (0.59) PTGS2PTGS1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130084281-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2013-04-04 US claimed
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS INC. (US) 2012-03-01 US claimed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 US claimed
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] TRAGARA PHARMACEUTICALS, INC (US) 2011-12-15 US claimed
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2011-12-08 US claimed
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites TRAGARA PHARMACEUTICALS, INC. 2011-12-08 US claimed
EP-0927555-B1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia DAIICHI SANKYO CO LTD (JP) 2011-10-05 EP claimed
JP-2011506277-A 2011-03-03 JP claimed
EP-2224932-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 EP claimed
EP-2224919-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 EP claimed
WO-2009009778-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 US claimed
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP claimed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US claimed
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED (JP) 2005-01-20 US claimed
CN-1151126-C 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses ������������ʽ���� 2004-05-26 CN claimed
EP-0927555-A1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumors, tumor-related disorders and cachexia Sankyo Company Limited (JP) 1999-07-07 EP claimed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US claimed
CN-1168372-A 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-24 CN claimed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP claimed

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

For each of this compound's patents that has machine-readable text (8 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-20130084281-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 PTGS2 565/4885PTGS1 594/4885CA1 1526/4885
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TP53, VHL, TSG101 PTGS2 565/4885PTGS1 594/4885CA1 1526/4885
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] ERBB2, EGFR, ERBB3 PTGS2 11/4885PTGS1 17/4885CA1 1238/4885
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 PTGS2 4/4885PTGS1 6/4885CA1 981/4885
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 PTGS2 3/4885PTGS1 8/4885CA1 540/4885
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 4/4885CA1 914/4885
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS ERBB2, PTGER2, PTGS2 PTGS2 3/4885PTGS1 13/4885CA1 963/4885
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 PTGS2 565/4885PTGS1 594/4885CA1 1526/4885

“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.