SCHEMBL9829645

SCHEMBL9829645

COc1ccc(CCCS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.55
CA12 O43570 6/20 0.55
CA1 P00915 6/20 0.55
CA9 Q16790 6/20 0.55
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
CA5A P35218 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 1/20 0.46
CALM1 P0DP23 1/20 0.45
CA4 P22748 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL10373030 0.83 CA2 (0.60) CA2CA12CA1CA9CA5A
SCHEMBL9830075 0.82 CA2 (0.63) CA2CA12CA1CALM1
SCHEMBL2093098 0.78 CA1 (0.58) CA2CA12CA1CA9MMP8
SCHEMBL9830118 0.75 CA2 (0.50) CA2CA12CA1CA9MMP13
SCHEMBL14540200 0.74 CA2 (0.60) CA2CA12CA1CA9CA5A
SCHEMBL680127 0.74 CA12 (0.56) CA2CA12CA1CA9CA5A
SCHEMBL21328231 0.73 CA1 (0.57) CA2CA12CA1CA9MMP8
SCHEMBL9828407 0.73 CA2 (0.60) CA2KMT2A
SCHEMBL22230546 0.72 CA1 (0.55) CA2CA12CA1CA9MMP8
SCHEMBL28738754 0.72 CA1 (0.55) CA2CA12CA1CA9MMP8

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
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP disclosed