SCHEMBL2168328

SCHEMBL2168328

COc1ccc(NS(=O)(=O)c2[c]cccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 6/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 3/20 0.42
SQSTM1 Q13501 1/20 0.42
LMNA P02545 2/20 0.40

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
SCHEMBL7447109 0.80 CA2 (0.55) PTGES2
SCHEMBL3769781 0.73 PTGES2 (0.72) PTGES2ALDH1A1
SCHEMBL11427391 0.68 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL2775623 0.67 YAP1 (0.45) PTGES2ALDH1A1MAPTGAAMEN1
SCHEMBL2000387 0.66 CA2 (0.41)
SCHEMBL3779352 0.66 PTGES2 (1.00) PTGES2
SCHEMBL4060760 0.65 PIK3CG (0.66) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL76930 0.65 CA2 (0.42) LMNA
SCHEMBL8295570 0.64 ALDH1A1 (0.51) ALDH1A1MAPTGAATP53HPGD
SCHEMBL29406781 0.64 L3MBTL1 (0.64) ALDH1A1MAPTGAAKMT2ATP53

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4716984-B2 2011-07-06 JP claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP claimed
JP-2006520790-A 2006-09-14 JP claimed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP claimed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed