SCHEMBL6794663

SCHEMBL6794663

NS(=O)(=O)c1ccc(-c2ccccc2)c(-c2ccc(F)c(F)c2F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.52
PTGS1 P23219 15/20 0.52
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL4733933 0.82 CA2 (0.61) PTGS2PTGS1CA12CA1CA2
SCHEMBL4802122 0.81 CA2 (0.55) PTGS2PTGS1CA12CA1CA2
SCHEMBL30434205 0.81 CA2 (0.64) PTGS2PTGS1CA12CA1CA2
SCHEMBL2311184 0.76 LRRK2 (0.56) PTGS2PTGS1CA12CA1CA2
SCHEMBL6794823 0.76 CA1 (0.66) PTGS2PTGS1CA12CA1CA2
SCHEMBL7211481 0.75 PTGS2 (0.49) PTGS2PTGS1CA12CA1CA2
SCHEMBL7710900 0.75 CTSL (0.45) PTGS2PTGS1LMNA
SCHEMBL6808574 0.74 PTGS2 (0.77) PTGS2PTGS1CA12CA1CA2
SCHEMBL30269780 0.74 CA2 (0.59) PTGS2PTGS1CA12CA1CA2
SCHEMBL30221774 0.74 CA12 (0.55) PTGS2PTGS1CA12CA1CA2

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 5 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-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-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed