SCHEMBL6790758

SCHEMBL6790758

O=C(N[C@@H]1CN(C(=O)O)C[C@@H]1C(=O)O)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.62
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP10 P09238 1/20 0.46
MMP2 P08253 1/20 0.44

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
SCHEMBL6790405 0.92 ADAM17 (0.70) ADAM17MMP3MMP7MMP10MMP2
SCHEMBL6797151 0.85 ADAM17 (0.61) ADAM17MMP3MMP7MMP10MMP2
SCHEMBL6259435 0.80 ADAM17 (0.80) ADAM17MMP3MMP7MMP10
SCHEMBL6279181 0.80 ADAM17 (0.80) ADAM17MMP3MMP7MMP10
SCHEMBL6259432 0.80 ADAM17 (0.80) ADAM17MMP3MMP7MMP10
SCHEMBL6790903 0.80 ADAM17 (0.79) ADAM17MMP3MMP7MMP10MMP2
SCHEMBL6791676 0.79 ADAM17 (0.86) ADAM17MMP3MMP7MMP10MMP2
SCHEMBL6797248 0.79 ADAM17 (0.61) ADAM17MMP3MMP7MMP10MMP2
SCHEMBL6796124 0.78 ADAM17 (0.86) ADAM17MMP3MMP7MMP10
SCHEMBL6797882 0.78 ADAM17 (0.70) ADAM17MMP3MMP7MMP10MMP2

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 3/4885MMP3 16/4885MMP7 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.