SCHEMBL10766816

SCHEMBL10766816

CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.97
CA9 Q16790 6/20 0.97
RECQL P46063 1/20 0.63
LPAR2 Q9HBW0 3/20 0.57
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL9490269 1.00 CA12 (0.97) CA12CA9RECQLLPAR2MEN1
SCHEMBL9490703 1.00 CA12 (0.97) CA12CA9RECQLLPAR2MEN1
SCHEMBL3336990 0.99 CA12 (1.00) CA12CA9RECQLLPAR2MEN1
SCHEMBL617098 0.87 CA12 (0.79) CA12CA9RECQLLPAR2MEN1
SCHEMBL23748667 0.86 CA12 (0.78) CA12CA9RECQLLPAR2MEN1
SCHEMBL8884828 0.86 CA12 (0.72) CA12CA9RECQLLPAR2TSHR
SCHEMBL11799407 0.84 CA12 (0.75) CA12CA9RECQLLPAR2TSHR
SCHEMBL8887751 0.84 CA12 (0.74) CA12CA9RECQLLPAR2TSHR
SCHEMBL13320282 0.83 CA12 (0.79) CA12CA9LPAR2MEN1TSHR
SCHEMBL8885028 0.82 CA12 (0.74) CA12CA9RECQLLPAR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212010-A1 Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1987-03-04 EP disclosed
US-4623391-A COMPOUNDS HAVING ELECTRON-WITH DRAWING GROUPS WITHIN FIVE ATOMS OF A SULFANAMIDE THE STANDARD REGISTER COMPANY (US) 1986-11-18 US disclosed
US-4531139-A Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1985-07-23 US disclosed