SCHEMBL6790300

SCHEMBL6790300

Cc1cc(Cc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.68
MMP12 P39900 3/20 0.61
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP10 P09238 1/20 0.49
MMP13 P45452 1/20 0.48

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
SCHEMBL3965023 0.86 MMP12 (0.82) ADAM17MMP12MMP13
SCHEMBL6527878 0.85 MMP12 (0.67) ADAM17MMP12MMP13
SCHEMBL4442454 0.85 MMP12 (0.67) ADAM17MMP12MMP13
SCHEMBL4057881 0.77 ADAM17 (0.58) ADAM17MMP12
SCHEMBL4057886 0.77 ADAM17 (0.58) ADAM17MMP12
SCHEMBL3964745 0.76 MMP12 (1.00) ADAM17MMP12MMP13
SCHEMBL3966084 0.75 MMP12 (0.79) ADAM17MMP12MMP13
SCHEMBL4443049 0.74 ADAM17 (0.59) ADAM17MMP12MMP13
SCHEMBL4057254 0.72 MMP12 (0.54) ADAM17MMP12MMP13
SCHEMBL4057259 0.72 MMP12 (0.54) ADAM17MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ADAM17 3/4885MMP12 24/4885MMP3 16/4885

“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.