SCHEMBL8018838

SCHEMBL8018838

COc1ccc(S(=O)(=O)NC(CCNS(=O)(=O)c2ccc(C)cc2)C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.56
BMP1 P13497 12/20 0.56
MMP7 P09237 1/20 0.54
ALDH1A1 P00352 4/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL8390504 1.00 MMP13 (0.56) MMP13BMP1MMP7ALDH1A1MMP1
SCHEMBL8023829 0.95 BMP1 (0.59) MMP13BMP1MMP7ALDH1A1MMP1
SCHEMBL8016632 0.92 MMP7 (0.61) MMP13MMP7ALDH1A1MMP1MMP2
SCHEMBL8016625 0.92 MMP7 (0.61) MMP13MMP7ALDH1A1MMP1MMP2
SCHEMBL8016762 0.92 MMP7 (0.61) MMP13MMP7ALDH1A1MMP1MMP2
SCHEMBL8391505 0.90 ALDH1A1 (0.57) BMP1MMP7ALDH1A1MMP1MMP2
SCHEMBL8020743 0.88 MMP2 (0.54) MMP13MMP7ALDH1A1MMP1MMP2
SCHEMBL7419926 0.88 MMP7 (0.60) MMP13BMP1MMP7ALDH1A1MMP1
SCHEMBL8392360 0.86 MMP7 (0.58) MMP13MMP7ALDH1A1MMP1MMP2
SCHEMBL8023780 0.84 MMP7 (0.72) MMP13BMP1MMP7ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973733-A1 BIS-SULFONOMIDES HYDROXAMIC ACIDS AS MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-01-26 EP disclosed
US-5859061-A MATRIX METALLOPROTEINASE INHIBITORS; TREATING DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-01-12 US disclosed
WO-1998031664-A1 BIS-SULFONOMIDES HYDROXAMIC ACIDS AS MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-07-23 WO disclosed