SCHEMBL221377

SCHEMBL221377

CC(C)(O)CCOc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.43
PTGS1 P23219 7/20 0.43

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
SCHEMBL29366997 1.00 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL4175709 0.96 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL19953615 0.93 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL8289160 0.93 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL4191070 0.92 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL4197238 0.92 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4179563 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL4185483 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4190197 0.89 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8289110 0.89 MCHR1 (0.42)

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 593 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
WO-2020214906-A1 CGRP ANTAGONISTS FOR THE TREATMENT OF MEDICATION OVERUSE HEADACHE, POST-TRAUMATIC HEADACHE, POST-CONCUSSION SYNDROME AND VERTIGO ALLERGAN SALES, LLC (US) 2020-10-22 WO 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
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP claimed
JP-2011526251-A 2011-10-06 JP 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-2002015884-A2 RAPIDLY DISINTEGRATING ORAL FORMULATION OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORPORATION (US) 2002-02-28 WO claimed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US claimed
WO-2002005815-A1 OPHTHALMIC FORMULATION OF A SELECTIVE CYCLOOXYGENASE-2 INHIBITORY DRUG PHARMACIA & UPJOHN COMPANY (US) 2002-01-24 WO claimed
WO-2002005848-A2 USE OF COX-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF OCULAR COX-2 MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2002-01-24 WO claimed
US-20020009421-A1 Therapy following skin injury from exposure to ultraviolet radiation PHARMACIA CORPORATION 2002-01-24 US claimed
WO-2001091856-A2 USE OF COX2 INHIBITORS FOR TREATING SKIN INJURY FROM EXPOSURE TO ULTRAVIOLET RADIATION PHARMACIA CORPORATION (US) 2001-12-06 WO claimed
WO-2001078724-A1 RAPID-ONSET FORMULATION OF A SELECTIVE CYCLOOXIGENASE-2 PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US claimed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO 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 (3 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
US-20020009421-A1 Therapy following skin injury from exposure to ultraviolet radiation PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885

“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.