SCHEMBL6628076

SCHEMBL6628076

Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.59
FEN1 P39748 18/20 0.59
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1968159 0.88 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL890585 0.85 ALOX5AP (0.65) ALOX5APFEN1
SCHEMBL5885311 0.85 ALOX5AP (0.58) ALOX5APFEN1
Hydrochloric Acid SCHEMBL6175800 0.84 ALOX5AP (0.64) ALOX5APFEN1
SCHEMBL489577 0.83 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL7190899 0.83 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL7084914 0.82 ALOX5AP (0.54) ALOX5APFEN1
SCHEMBL6630002 0.81 ALOX5AP (0.57) ALOX5APFEN1
SCHEMBL2280981 0.81 ALOX5AP (0.54) ALOX5APFEN1
SCHEMBL890690 0.81 ALOX5AP (0.54) ALOX5APFEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874629-B1 ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-19 EP disclosed
WO-2003101381-A2 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2003-12-11 WO disclosed
US-5939418-A ANTICOAGULANT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-08-17 US disclosed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed
US-5312820-A Angiotensin antagonist for treatment of hypertension MERCK & CO., INC. (US) 1994-05-17 US disclosed
US-5262412-A Angiotensin II antagonists, hypotensive agents, treatment of congestive heart failure and glaucoma MERCK & CO., INC. (US) 1993-11-16 US disclosed
EP-0523141-A4 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES 1993-04-21 EP disclosed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 WO disclosed
EP-0523141-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO. INC. (US) 1993-01-20 EP disclosed
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO disclosed