SCHEMBL3937331

SCHEMBL3937331

CC#CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.57
MMP13 P45452 14/20 0.55
MMP1 P03956 13/20 0.55
MMP9 P14780 10/20 0.55
MMP14 P50281 2/20 0.55
MMP2 P08253 1/20 0.55
ADAM10 O14672 1/20 0.51
MMP7 P09237 1/20 0.51
MMP8 P22894 1/20 0.51
MMP3 P08254 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
SCHEMBL3947785 0.98 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3944455 0.98 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3944450 0.98 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7879785 0.89 ADAM17 (0.52) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7872276 0.87 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6693978 0.84 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4148426 0.80 ADAM17 (0.59) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3942787 0.78 ADAM17 (0.59) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3942784 0.78 ADAM17 (0.59) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3938831 0.78 ADAM17 (0.59) ADAM17MMP13MMP1MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326516-B1 RHEUMATIC DISEASES; SEPSIS; ANTIULCER AGENTS AMERICAN CYANAMID COMPANY 2001-12-04 US claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed