SCHEMBL6790216

SCHEMBL6790216

C#CCN1C[C@H](C(=O)NO)[C@H](NC(=O)c2ccc(Cn3c(C(C)(C)C)nc4ccccc43)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.62
MMP12 P39900 6/20 0.61
MMP7 P09237 5/20 0.61
MMP3 P08254 4/20 0.61
MMP10 P09238 3/20 0.61
MMP8 P22894 3/20 0.61
ADAMTS4 O75173 1/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
MMP14 P50281 1/20 0.56

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
SCHEMBL6788400 0.92 ADAM17 (0.67) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6790818 0.92 ADAM17 (0.63) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6790335 0.90 MMP7 (0.70) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6796137 0.88 MMP7 (0.71) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6790630 0.88 MMP12 (0.71) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6785374 0.86 MMP12 (0.60) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6790487 0.85 MMP12 (0.69) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6785466 0.85 MMP12 (0.63) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6790297 0.85 ADAM17 (0.65) ADAM17MMP12MMP7MMP3MMP10
SCHEMBL6794923 0.83 ADAM17 (0.68) ADAM17MMP12MMP7MMP3MMP10

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 4 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 claimed
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 claimed
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 24/4885MMP7 25/4885

“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.