SCHEMBL348164

SCHEMBL348164

Cc1csc(-n2cc(C)cc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.44
CA9 Q16790 9/20 0.44
CA12 O43570 8/20 0.44
CA1 P00915 8/20 0.44
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CHRNA7 P36544 4/20 0.41
PTGS2 P35354 7/20 0.40
PTGS1 P23219 4/20 0.40
PDPK1 O15530 2/20 0.40
CYP2C9 P11712 2/20 0.40
PTGES O14684 1/20 0.40
HDAC3 O15379 1/20 0.40
PDE5A O76074 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2467917 0.86 CHRNA7 (0.44) CA2CA9CA12CA1CHRNA7
SCHEMBL2463231 0.85 CA2 (0.47) CA2CA9CA12CA1CA3
SCHEMBL5315712 0.84 PTGS2 (0.52) CA2CA9CA12CA1CA3
SCHEMBL5312975 0.80 PTGS2 (0.46) CA2CA9CA12CA1CA3
SCHEMBL3690377 0.79 PTGS2 (0.41) CA2CA9CA12CA1CA3
SCHEMBL5312529 0.79 PTGS2 (0.58) CA2CA9CA12CA1CA3
SCHEMBL347020 0.79 PTGS2 (0.58) CA2CA9CA12CA1CA3
SCHEMBL2465765 0.78 CA12 (0.42) CA2CA9CA12CA1CA3
SCHEMBL348734 0.77 PTGS2 (0.44) CA2CA9CA12CA1CA3
SCHEMBL5332332 0.75 CHRNA7 (0.43) CA2CA9CA12CA1CHRNA7

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 54 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-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites TRAGARA PHARMACEUTICALS, INC. 2011-12-08 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
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-2205077-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) 2010-07-14 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-6887893-B1 Methods and compositions for treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED (JP) 2005-05-03 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
US-20050004109-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia SANKYO COMPANY, LIMITED 2005-01-06 US 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
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 (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-20130084281-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 CA2 2781/4885CA9 292/4885CA12 121/4885
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TP53, VHL, TSG101 CA2 2781/4885CA9 292/4885CA12 121/4885
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 CA2 188/4885CA9 573/4885CA12 505/4885
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 CA2 520/4885CA9 665/4885CA12 806/4885
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 CA2 203/4885CA9 458/4885CA12 606/4885
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites PTGS2, PTGES2, PTGER2 CA2 141/4885CA9 572/4885CA12 716/4885
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 CA2 75/4885CA9 407/4885CA12 364/4885
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 CA2 2781/4885CA9 292/4885CA12 121/4885
US-20050004109-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 CA2 520/4885CA9 665/4885CA12 806/4885

“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.