SCHEMBL6798951

SCHEMBL6798951

Cc1sc2ccccc2c1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GPR3 P46089 1/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD11B1 P28845 1/20 0.37
PLA2G10 O15496 1/20 0.37
CA9 Q16790 1/20 0.36
LIMK1 P53667 2/20 0.36
IKBKB O14920 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6957613 0.81 ACLY (0.44) ACLYL3MBTL1ALDH1A1GPR3HSD11B1
SCHEMBL7343886 0.77 CNR2 (0.43) L3MBTL1ALDH1A1GPR3CA2CA1
SCHEMBL1575935 0.76 HSD11B1 (0.44) L3MBTL1ALDH1A1GPR3CA2CA1
SCHEMBL10414836 0.75 L3MBTL1 (0.61) ACLYL3MBTL1GPR3CA2CA1
SCHEMBL6788010 0.75 CNR2 (0.46) L3MBTL1GPR3CA2CA1CA12
SCHEMBL9353737 0.73 ACLY (0.39) ACLYALDH1A1GPR3HSD11B1TP53
SCHEMBL10971142 0.73 MAPT (0.64) L3MBTL1ALDH1A1CA2CA1CA9
SCHEMBL3694007 0.71 CA2 (0.39) L3MBTL1CA2CA1CA12CA7
SCHEMBL13947830 0.70 LIMK1 (0.50) ALDH1A1GPR3PLA2G10LIMK1IKBKB
SCHEMBL1093585 0.69 GPR3 (0.44) L3MBTL1ALDH1A1GPR3MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed