SCHEMBL6263168

SCHEMBL6263168

CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.Cn1cnc(S(=O)(=O)Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.74
MMP13 P45452 17/20 0.74
ADAM17 P78536 16/20 0.74
MMP14 P50281 4/20 0.67
MMP1 P03956 2/20 0.64
MMP9 P14780 2/20 0.64

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
SCHEMBL3941501 0.96 MMP2 (0.80) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6265667 0.84 ADAM17 (0.92) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3948005 0.81 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6835828 0.80 MMP2 (0.53) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6266477 0.78 ADAM17 (0.85) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL7360883 0.78 MMP2 (0.85) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6267986 0.78 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3937292 0.78 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL7394685 0.78 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3948501 0.77 ADAM17 (0.84) MMP2MMP13ADAM17MMP14MMP1

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
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US disclosed