SCHEMBL6794458

SCHEMBL6794458

Cn1ccnc1SCC(CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
POLB P06746 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 4/20 0.42
TP53 P04637 2/20 0.41
MMP2 P08253 5/20 0.38
MMP9 P14780 4/20 0.38
LMNA P02545 2/20 0.38
MMP3 P08254 3/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL6788468 0.82 MEN1 (0.46) ALDH1A1POLBSMN1; SMN2KMT2AMMP2
SCHEMBL6787718 0.82 LMNA (0.44) ALDH1A1TP53MMP2MMP9LMNA
SCHEMBL6788702 0.81 MMP2 (0.45) KMT2AMMP2MMP9MMP3MMP13
SCHEMBL7448510 0.79 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6784793 0.79 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6795116 0.78 MMP2 (0.38) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL6788038 0.77 MGAM (0.41) ALDH1A1SMN1; SMN2MMP2MMP9LMNA
SCHEMBL6796186 0.77 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783118 0.77 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783185 0.77 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1

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
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP claimed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO claimed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed