SCHEMBL7315984

SCHEMBL7315984

CCCCCCCCCCC#Cc1cc(C)c(NCS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.42
MMP9 P14780 14/20 0.42
ADAM17 P78536 11/20 0.42
MMP1 P03956 13/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 2/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP12 P39900 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
SCHEMBL7324779 0.91 ALDH1A1 (0.38) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL7322743 0.91 ALDH1A1 (0.39) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL7322130 0.84 MMP13 (0.47) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL7315991 0.82 MMP13 (0.64) MMP13MMP9ADAM17MMP1
SCHEMBL7321489 0.81 MMP13 (0.47) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL7318219 0.80 MMP13 (0.56) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL6815791 0.78 MMP13 (0.60) MMP13MMP9ADAM17MMP1MMP2
SCHEMBL6814832 0.78 ADAM17 (0.69) MMP13MMP9ADAM17MMP1
SCHEMBL3942775 0.78 ADAM17 (0.58) MMP13MMP9ADAM17MMP1
SCHEMBL7825679 0.77 MMP13 (0.44) MMP13MMP9ADAM17MMP1MMP2

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-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP claimed
EP-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP disclosed
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed