SCHEMBL512281

SCHEMBL512281

CS(=O)(=O)c1ccc(-c2cc[c]o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.43
ENPP2 Q13822 1/20 0.41
PTGS1 P23219 1/20 0.38

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
SCHEMBL10300269 0.72 PTGS2 (0.62) PTGS2ENPP2PTGS1
SCHEMBL7677302 0.72 PTGS2 (0.62) PTGS2ENPP2PTGS1
SCHEMBL746134 0.70 PTGS2 (0.50) PTGS2ENPP2PTGS1
SCHEMBL2376239 0.69 ENPP2 (0.72) PTGS2ENPP2
SCHEMBL28808759 0.68 TAAR1 (0.52) PTGS2
SCHEMBL769225 0.67
SCHEMBL3736397 0.67 PTGS2 (0.52) PTGS2ENPP2PTGS1
SCHEMBL9026241 0.66 LMNA (0.59) PTGS2
SCHEMBL5327871 0.65 KIF11 (0.43)
SCHEMBL8770202 0.65 PTGS2 (0.79) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US claimed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US claimed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 EP claimed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 US claimed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 WO claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
US-8586770-B2 Unsaturated steroid compounds Harbor Therapeutics, Inc. (US) 2013-11-19 US disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120029260-A1 Screening and Treatment Method BIOVIE INC. 2012-02-02 US disclosed
US-20110137057-A1 Unsaturated Steroid Compounds BIOVIE INC. 2011-06-09 US disclosed
US-20110085984-A1 Drug Product and Process for Making BIOVIE INC. 2011-04-14 US disclosed
US-7910755-B2 Stem cell expansion and uses HARBOR BIOSCIENCES, INC. (US) 2011-03-22 US disclosed
EP-0891976-A1 Novel cyclic ureas useful as antiarrhythmic and antifibrillatory agents PROCTER & GAMBLE PHARMACEUTICALS (US) 1999-01-20 EP disclosed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US disclosed
US-5462940-A 4-oxocyclic ureas useful as antiarrhythmic and antifibrillatory agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1995-10-31 US disclosed
EP-0599968-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-06-08 EP disclosed
EP-0598061-A1 NOVEL 4-OXOCYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-05-25 EP disclosed
WO-1993004061-A1 NOVEL 4-OXOCYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1993-03-04 WO disclosed
WO-1993004064-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-03-04 WO disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGS2 1734/4885ENPP2 517/4885PTGS1 1613/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 PTGS2 1734/4885ENPP2 517/4885PTGS1 1613/4885
US-20050113423-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PTGS2 1734/4885ENPP2 517/4885PTGS1 1613/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 PTGS2 794/4885ENPP2 825/4885PTGS1 779/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 PTGS2 101/4885ENPP2 576/4885PTGS1 56/4885

“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.