SCHEMBL6023353

SCHEMBL6023353

Cc1cc(COc2ccc(C3=NOC(CC(=O)NO)(CN4CCOCC4)C3)cc2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.57
ADAMTS4 O75173 1/20 0.57
MMP3 P08254 1/20 0.57
MMP7 P09237 1/20 0.57
ADAMTS1 Q9UHI8 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.57
MMP13 P45452 3/20 0.54

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
SCHEMBL6023359 0.92 ADAM17 (0.57) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6023631 0.89 ADAM17 (0.63) ADAM17MMP13
SCHEMBL6023092 0.87 ADAM17 (0.47) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6023001 0.87 ADAM17 (0.58) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6022611 0.82 ADAM17 (0.54) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6789215 0.80 ADAM17 (0.68) ADAM17MMP13
SCHEMBL7044984 0.80 ADAM17 (0.55) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6023821 0.80 ADAM17 (0.56) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6023172 0.78 ADAM17 (0.54) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6784719 0.77 ADAM17 (0.66) ADAM17MMP13

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-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US claimed
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US claimed
US-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 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-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP2, MMP1, MMP9 ADAM17 5/4885ADAMTS4 28/4885MMP3 6/4885

“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.