SCHEMBL6790698

SCHEMBL6790698

CC(=O)Nc1ccccc1OCC(CS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MMP13 P45452 5/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 3/20 0.41
MMP3 P08254 3/20 0.41
MMP1 P03956 2/20 0.41
MMP7 P09237 2/20 0.41
ACLY P53396 1/20 0.41
ADAMTS4 O75173 3/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.39
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38

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
SCHEMBL6789920 0.89 MMP2 (0.45) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL6784512 0.87 SMN1; SMN2 (0.48) BRD4ALDH1A1MMP2MMP9LMNA
SCHEMBL6788518 0.83 ALDH1A1 (0.53) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL7555789 0.76 MMP3 (0.55) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL6789958 0.74 MMP2 (0.48) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL6787277 0.74 ALDH1A1 (0.46) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL6794038 0.72 BCL2L1 (0.47) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6788239 0.72 MMP3 (0.46) ALDH1A1MMP13MMP2MMP9MMP3
SCHEMBL7447715 0.71 KMT2A (0.53) ADAMTS4LMNASMN1; SMN2KMT2AIDO1
SCHEMBL6788751 0.70 PPARG (0.50) MMP2MMP9MMP7GAA

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 7 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed