SCHEMBL5887758

SCHEMBL5887758

Cc1cc(COC2CCN(C(=O)c3ccsc3C3(C)C(=O)NC(=O)N3OC(=O)C(F)(F)F)CC2)c2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
SPR P35270 1/20 0.35
TTR P02766 1/20 0.35

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 SCHEMBL5887752 0.85 ADAM17 (0.40) ADAM17MMP2MMP9
SCHEMBL5887888 0.83 ADAM17 (0.43) ADAM17MMP2MMP9
SCHEMBL5887560 0.77 ADAM17 (0.47) ADAM17MMP2
SCHEMBL5041591 0.70 ADAM17 (0.48) ADAM17
SCHEMBL5935699 0.69 ADAM17 (0.56) ADAM17MMP2MMP9
SCHEMBL5032744 0.69 ADAM17 (0.49) ADAM17MMP2MMP9
SCHEMBL5041690 0.67 ADAM17 (0.47) ADAM17MMP2MMP9
SCHEMBL5032796 0.66 ADAM17 (0.46) ADAM17MMP2
SCHEMBL6188156 0.65 ADAM17 (0.48) ADAM17MMP2MMP9TTR
SCHEMBL5935747 0.64 ADAM17 (0.52) ADAM17MMP2MMP9

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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed

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 13/4885MMP9 10/4885

“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.