SCHEMBL6022792

SCHEMBL6022792

Cc1cc(COc2ccc(C3=NOC(C=CC(=O)OC(C)(C)C)C3)cc2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.49
MMP2 P08253 2/20 0.47
MMP13 P45452 2/20 0.47
MMP12 P39900 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
ADAMTS4 O75173 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
SCHEMBL6022790 1.00 ADAM17 (0.49) ADAM17MMP2MMP13MMP12MMP1
SCHEMBL6022798 1.00 ADAM17 (0.49) ADAM17MMP2MMP13MMP12MMP1
SCHEMBL6024016 0.92 ADAM17 (0.47) ADAM17MMP2MMP13ADAMTS4
SCHEMBL6024023 0.92 ADAM17 (0.47) ADAM17MMP2MMP13ADAMTS4
SCHEMBL6024021 0.92 ADAM17 (0.47) ADAM17MMP2MMP13ADAMTS4
SCHEMBL5036449 0.84 ADAM17 (0.48) ADAM17MMP2MMP13ADAMTS4
SCHEMBL6023570 0.79 MIF (0.58) ADAM17MMP13ADAMTS4
SCHEMBL6024346 0.79 ADAM17 (0.47) ADAM17MMP2MMP13MMP12MMP1
SCHEMBL6023102 0.78 ADAM17 (0.49) ADAM17MMP2MMP13ADAMTS4
SCHEMBL6023170 0.78 ADAM17 (0.58) ADAM17ADAMTS4

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 disclosed
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
WO-2004043349-A2 ISOXAZOLINE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 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-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP2, MMP1, MMP9 ADAM17 5/4885MMP2 1/4885MMP13 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.