SCHEMBL347479

SCHEMBL347479

COc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 3/20 0.59
CA12 O43570 2/20 0.59
PTGS2 P35354 11/20 0.57
PTGS1 P23219 6/20 0.57
CHRNA7 P36544 3/20 0.56
CA5A P35218 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
MAPKAPK2 P49137 1/20 0.54
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL2463842 1.00 CA1 (0.59) CA1CA2CA9CA12PTGS2
SCHEMBL5964968 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5964943 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL347020 0.87 PTGS2 (0.58) CA1CA2CA9CA12PTGS2
SCHEMBL5312529 0.87 PTGS2 (0.58) CA1CA2CA9CA12PTGS2
Apricoxib SCHEMBL346028 0.86 CA1 (0.60) CA1CA2CA9CA12PTGS2
Apricoxib SCHEMBL3435344 0.86 CA1 (0.60) CA1CA2CA9CA12PTGS2
SCHEMBL2465664 0.85 CHRNA7 (0.56) CA1CA2CA9CA12PTGS2
SCHEMBL5314130 0.84 CA9 (0.62) CA1CA2CA9CA12PTGS2
SCHEMBL5309196 0.83 CHRNA7 (0.66) CA1CA2CA9CA12PTGS2

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 61 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-2205076-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL INHIBITORS OF EGFR ÝERBB1¨AND HER-2 ÝERBB2¨ Tragara Pharmaceuticals, Inc. (US) 2010-07-14 EP claimed
WO-2009042612-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) 2009-04-02 WO claimed
WO-2009042613-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) 2009-04-02 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
EP-1400243-A1 Calcium-activated K channel activator TANABE SEIYAKU CO., LTD. (JP) 2004-03-24 EP 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 (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 CA1 1526/4885CA2 2781/4885CA9 292/4885
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TP53, VHL, TSG101 CA1 1526/4885CA2 2781/4885CA9 292/4885
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 CA1 1238/4885CA2 188/4885CA9 573/4885
US-20050014814-A1 Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia CPT1B, PYGM, PTGES2 CA1 981/4885CA2 520/4885CA9 665/4885
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 CA1 540/4885CA2 203/4885CA9 458/4885
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites PTGS2, PTGES2, PTGER2 CA1 914/4885CA2 141/4885CA9 572/4885
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 CA1 963/4885CA2 75/4885CA9 407/4885
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 CA1 1526/4885CA2 2781/4885CA9 292/4885

“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.