SCHEMBL5887602

SCHEMBL5887602

[CH2]c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.61
MMP13 P45452 1/20 0.61
MMP2 P08253 3/20 0.55
MMP12 P39900 2/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53

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 0.91 ADAM17 (0.63) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL6291728 0.90 ADAM17 (0.58) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL8353322 0.90 ADAM17 (0.62) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL5887895 0.88 ADAM17 (0.61) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL5041563 0.87 ADAM17 (0.60) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL1364646 0.87 ADAM17 (0.60) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL4053178 0.87 ADAM17 (0.60) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL1366484 0.87 ADAM17 (0.60) ADAM17MMP13MMP2MMP12MMP3
SCHEMBL5035364 0.86 ADAM17 (0.57) ADAM17MMP13MMP2MMP12MMP3
Hydrochloric Acid SCHEMBL2176855 0.86 ADAM17 (0.59) ADAM17MMP13MMP2MMP12MMP3

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 8 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
US-6927216-B2 Cyclic sulfonyl compounds as inhibitors of metalloproteases BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-08-09 US 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
EP-1322627-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES Bristol-Myers Squibb Pharma Company (US) 2003-07-02 EP disclosed
US-20020086853-A1 Cyclic sulfonyl compounds as inhibitors of metalloproteases BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-04 US disclosed
WO-2002028846-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES DUPONT PHARMACEUTICALS COMPANY (US) 2002-04-11 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-20020086853-A1 Cyclic sulfonyl compounds as inhibitors of metalloproteases DPP7, STS, CTRL ADAM17 18/4885MMP13 34/4885MMP2 11/4885

“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.