SCHEMBL6266873

SCHEMBL6266873

CC#CCOc1ccc(SC2(C(=O)NO)CC[N+](C=O)(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 19/20 0.47
▸ MMP13 P45452 15/20 0.47
▸ MMP2 P08253 8/20 0.43
▸ MMP14 P50281 5/20 0.43
▸ MMP9 P14780 4/20 0.40
▸ MMP1 P03956 5/20 0.40

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
SCHEMBL3949307 0.81 MMP13 (0.67) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL3949076 0.81 ADAM17 (0.47) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL6268549 0.79 ADAM17 (0.52) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL3949527 0.78 ADAM17 (0.62) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL3948423 0.72 ADAM17 (0.68) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL6264627 0.69 ADAM17 (0.45) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL6261987 0.69 ADAM17 (0.71) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL6694069 0.68 ADAM17 (0.62) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL7394890 0.66 ADAM17 (0.52) ADAM17MMP13MMP2MMP14MMP9
SCHEMBL6263128 0.64 ADAM17 (0.55) ADAM17MMP13MMP2MMP14MMP9

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 5 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-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 — — US 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
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO disclosed
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