SCHEMBL220107

SCHEMBL220107

CS(=O)(=O)c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 17/20 1.00

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
SCHEMBL3822242 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3821537 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3822946 0.86 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL3825944 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL3821955 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3820828 0.80 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL4575404 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL2781349 0.80 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL3242183 0.80 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5204580 0.80 PTGS2 (1.00) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956025-A1 CGRP ANTAGONISTS FOR THE TREATMENT OF MEDICATION OVERUSE HEADACHE, POST-TRAUMATIC HEADACHE, POST-CONCUSSION SYNDROME AND VERTIGO Allergan Sales, LLC (US) 2022-02-23 EP claimed
US-20200383983-A1 CGRP ANTAGONISTS FOR THE TREATMENT OF MEDICATION OVERUSE HEADACHE, POST-TRAUMATIC HEADACHE, POST-CONCUSSION SYNDROME AND VERTIGO ALLERGAN SALES, LLC 2020-12-10 US claimed
CN-102143961-B Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2014-11-05 CN claimed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
US-20130231311-A1 NOVEL FORMULATIONS FOR TREATMENT OF MIGRAINE ZOGENIX, INC. 2013-09-05 US claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
JP-2011526251-A 2011-10-06 JP 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
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
US-20110118189-A1 NOVEL FORMULATIONS FOR TREATMENT OF MIGRAINE ZOGENIX, INC. 2011-05-19 US claimed
WO-2001000229-A1 COMBINATION OF TUMORS NECROCIS FACTOR (TNF) ANTAGONISTS AND COX-2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-01-04 WO claimed
EP-1061908-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS Merck & Co., Inc. (US) 2000-12-27 EP claimed
US-6136804-A ANTIISCHEMIC AGENTS, ANTITHROMBOTIC AGENTS, THROMBOTIC OCCLUSION AND ANTIPLATELET AGENT MERCK & CO., INC. (US) 2000-10-24 US claimed
EP-1024696-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE Merck & Co., Inc. (US) 2000-08-09 EP claimed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed
WO-1999045913-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO., INC. (US) 1999-09-16 WO 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
WO-1999020110-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO., INC. (US) 1999-04-29 WO claimed
EP-0863134-A1 2-(3,5-difluorophenyl)-3-(4-(methyl-sulfonyl)phenyl)-2-cyclopenten-1-one useful as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA INC. (CA) 1998-09-09 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 (1 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 PTGS2 32/4885PTGS1 15/4885

“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.