SCHEMBL5887957

SCHEMBL5887957

Cc1cc(COc2ccc(CNC(=O)c3ccsc3C3(C)NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.60
MMP2 P08253 3/20 0.55
MMP12 P39900 2/20 0.55
MMP3 P08254 1/20 0.55
MMP13 P45452 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL5887529 0.96 ADAM17 (0.56) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL5887902 0.82 MAPK14 (0.46) MMP13
SCHEMBL5887623 0.82 ADAM17 (0.60) ADAM17MMP2MMP12MMP13
Trifluoroacetic Acid SCHEMBL5887553 0.80 ADAM17 (0.54) ADAM17MMP2MMP12MMP13
SCHEMBL4051662 0.76 ADAM17 (0.78) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL4057678 0.75 ADAM17 (1.00) ADAM17MMP2MMP12MMP3
SCHEMBL5887888 0.74 ADAM17 (0.43) ADAM17MMP2MMP12MMP13
SCHEMBL3968857 0.73 MMP2 (0.80) ADAM17MMP2MMP12MMP3
SCHEMBL6321457 0.73 ADAM17 (0.74) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL4051714 0.72 ADAM17 (0.71) ADAM17MMP2MMP13

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
US-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US claimed
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP claimed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP claimed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, ADAMTS1 ADAM17 1/4885MMP2 13/4885MMP12 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.