SCHEMBL6992512

SCHEMBL6992512

COc1cccc(S(=O)(=O)NC2(F)CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.46
FPR2 P25090 1/20 0.37
CNR2 P34972 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTR6 P50406 2/20 0.35
CASP3 P42574 1/20 0.35
PGR P06401 1/20 0.35
DUT P33316 1/20 0.35
ELAVL1 Q15717 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL4684735 0.91 F10 (0.54) F10FPR2HTR6
SCHEMBL6985447 0.88 F10 (0.45) F10HTR6PGR
SCHEMBL6982192 0.86 F10 (0.38) F10CNR2CTSGCMA1PGR
SCHEMBL6985663 0.86 F10 (0.45) F10HTR6
SCHEMBL6980681 0.85 F10 (0.45) F10CTSGCMA1
SCHEMBL6989555 0.85 F10 (0.43) F10FPR2L3MBTL1
SCHEMBL6986546 0.84 F10 (0.42) F10
SCHEMBL6988024 0.80 F10 (0.45) F10FPR2L3MBTL1PGR
SCHEMBL6990370 0.79 ALDH1A1 (0.36) F10L3MBTL1
SCHEMBL4681110 0.79 F10 (0.53) F10FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed