SCHEMBL10537856

SCHEMBL10537856

COc1ccc(CC2CSc3sc(S(N)(=O)=O)cc3C2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.44
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.36
HSD17B3 P37058 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10539066 0.76 CA2 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL10561142 0.75 CYP26A1 (0.43) CA2CA12CA1CA9USP2
SCHEMBL10512250 0.70 CA2 (0.57) CA2
SCHEMBL9522402 0.68 CA2 (0.46) CA2CA12CA1CA9
SCHEMBL10538883 0.67 CA2 (0.53) CA2
SCHEMBL10373030 0.64 CA2 (0.60) CA2CA12CA1CA9
SCHEMBL14540200 0.64 CA2 (0.60) CA2CA12CA1CA9POLB
SCHEMBL10539002 0.63 CYP26A1 (0.38) CA2CA1
SCHEMBL10390690 0.62 CA2 (0.63) CA2CA12CA1CA9
SCHEMBL9522416 0.62 CA2 (0.48) CA2CA12CA1CA9

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-4863922-A Substituted aromatic sulfonamides as antiglaucoma agents, compositions and use MERCK & CO., INC. (US) 1989-09-05 US disclosed
US-4824968-A REMOVING HYDROXYL GROUP WITH SODIUM IODIDE AND DICHLORODIMETHYLSILANE IN ACETONITRILE MERCK & CO., INC. (US) 1989-04-25 US disclosed
US-4820848-A Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1989-04-11 US disclosed
US-4797413-A Thieno thiopyran sulfonamide derivatives, pharmaceutical compositions and use MERCK & CO., INC. (US) 1989-01-10 US disclosed
EP-0296879-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1988-12-28 EP disclosed