SCHEMBL5887571

SCHEMBL5887571

Cc1cc(COc2ccc(CN)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.58
MMP13 P45452 1/20 0.58
OPRL1 P41146 1/20 0.55
MMP3 P08254 2/20 0.54
MMP2 P08253 2/20 0.52
MAOB P27338 1/20 0.51
MMP7 P09237 1/20 0.50
MMP12 P39900 1/20 0.50

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
SCHEMBL6632245 0.87 ADAM17 (0.63) ADAM17MMP13MMP3MMP2MMP7
SCHEMBL6291728 0.86 ADAM17 (0.58) ADAM17MMP13MMP3MMP2MMP7
SCHEMBL5887489 0.86 ADAM17 (0.58) ADAM17MMP13MMP3
SCHEMBL5887679 0.86 ADAM17 (0.58) ADAM17MMP13MMP3MMP2MMP7
SCHEMBL1364646 0.86 ADAM17 (0.60) ADAM17MMP13OPRL1MMP3MMP2
SCHEMBL8353322 0.86 ADAM17 (0.62) ADAM17MMP13MMP3MMP2MMP7
Hydrochloric Acid SCHEMBL2172680 0.85 ADAM17 (0.59) ADAM17MMP13OPRL1MMP3MMP2
Hydrochloric Acid SCHEMBL2176855 0.85 ADAM17 (0.59) ADAM17MMP13OPRL1MMP3MMP2
SCHEMBL5887602 0.85 ADAM17 (0.61) ADAM17MMP13MMP3MMP2MMP7
SCHEMBL5887895 0.85 ADAM17 (0.61) ADAM17MMP13MMP3MMP2MMP7

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 1/4885MMP13 15/4885OPRL1 3486/4885

“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.