SCHEMBL6023009

SCHEMBL6023009

COC(=O)CC(N)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 1/20 0.48
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
MMP3 P08254 1/20 0.46

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
Hydrochloric Acid SCHEMBL6023004 0.99 ADAM17 (0.47) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6024346 0.92 ADAM17 (0.47) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6023420 0.91 ADAM17 (0.51) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6024040 0.89 ADAM17 (0.47) ADAM17MMP2ADAMTS4MMP13
SCHEMBL6022889 0.89 ADAMTS4 (0.46) ADAM17MMP2ADAMTS4MMP13MMP3
SCHEMBL6024242 0.87 ADAMTS4 (0.45) ADAM17MMP2ADAMTS4MMP13MMP3
SCHEMBL6023809 0.86 MMP13 (0.52) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6023772 0.84 ADAM17 (0.61) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6886268 0.84 ADAM17 (0.52) ADAM17MMP2MMP9ADAMTS4MMP13
SCHEMBL6024161 0.84 MMP2 (0.43) ADAM17MMP2ADAMTS4MMP13

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 1/4885MMP9 3/4885

“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.