SCHEMBL7344931

SCHEMBL7344931

Cc1ccc(S(=O)(=O)NCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.57
MMP12 P39900 4/20 0.57
BCAT1 P54687 1/20 0.50
HTT P42858 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL7347007 0.91 MMP13 (0.57) MMP13MMP12BCAT1HTTCYP1A2
SCHEMBL7352052 0.88 MMP13 (0.53) MMP13MMP12HTTCYP1A2CYP2C19
SCHEMBL7343069 0.88 MMP13 (0.53) MMP13MMP12HTTCYP1A2CYP2C19
SCHEMBL6415334 0.87 MMP13 (0.53) MMP13MMP12BCAT1HTTCYP1A2
SCHEMBL7344226 0.87 CYP1A2 (0.62) MMP13MMP12HTTCYP1A2CYP2C19
SCHEMBL7347669 0.87 MMP12 (0.52) MMP13MMP12HTTCYP1A2CYP2C19
SCHEMBL7351117 0.86 MMP12 (0.53) MMP13MMP12HTTCYP1A2CYP2C19
SCHEMBL7343585 0.83 MMP13 (0.61) MMP13MMP12MMP2MMP9MMP14
SCHEMBL7349030 0.83 MMP2 (0.58) MMP13MMP12ALDH1A1GAAITGB3
SCHEMBL7354362 0.83 MMP12 (0.54) MMP13MMP12HTTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US claimed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed