SCHEMBL5885016

SCHEMBL5885016

CCOC(=O)C(C)(C)C(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.54
MMP2 P08253 2/20 0.53
MMP12 P39900 2/20 0.53
MMP3 P08254 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
SCHEMBL5884722 0.82 ADAM17 (0.53) ADAM17MMP2MMP12
SCHEMBL1504715 0.82 ADAM17 (0.64) ADAM17MMP2MMP12MMP3
SCHEMBL1504829 0.80 ADAM17 (0.61) ADAM17MMP2MMP12MMP3
SCHEMBL3968177 0.80 ADAM17 (0.61) ADAM17MMP2MMP12MMP3
SCHEMBL5885017 0.80 MAOB (0.57)
SCHEMBL6212594 0.79 ADAM17 (0.63) ADAM17MMP2MMP12MMP3
Hydrochloric Acid SCHEMBL4053797 0.79 ADAM17 (0.60) ADAM17MMP2MMP12
SCHEMBL1504742 0.78 MMP2 (0.58) ADAM17MMP2MMP12MMP3
SCHEMBL5884095 0.77 MMP2 (0.48) ADAM17MMP2MMP12
SCHEMBL5887895 0.77 ADAM17 (0.61) ADAM17MMP2MMP12MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO 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-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 ADAM17 2/4885MMP2 6/4885MMP12 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.