SCHEMBL6023570

SCHEMBL6023570

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.58
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ADAMTS4 O75173 1/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 6/20 0.48

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
SCHEMBL6023580 0.91 ADAM17 (0.55) ADAMTS4MMP13ADAM17
SCHEMBL6023378 0.86 ADAM17 (0.56) ADAMTS4MMP13ADAM17
SCHEMBL5036449 0.85 ADAM17 (0.48) ADAMTS4MMP13ADAM17
SCHEMBL6022835 0.84 ADAM17 (0.54) MMP13ADAM17
SCHEMBL6023809 0.82 MMP13 (0.52) ADAMTS4MMP13ADAM17
SCHEMBL6023772 0.81 ADAM17 (0.61) ADAMTS4MMP13ADAM17
SCHEMBL6023498 0.81 ADAM17 (0.48) ADAMTS4MMP13ADAM17
SCHEMBL6023495 0.81 ADAM17 (0.48) ADAMTS4MMP13ADAM17
Trifluoroacetic Acid SCHEMBL6023787 0.81 ADAM17 (0.44) ITGB3ITGA2BADAMTS4MMP13ADAM17
SCHEMBL6024023 0.81 ADAM17 (0.47) ADAMTS4MMP13ADAM17

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 MIF 222/4885ITGB3 1006/4885ITGA2B 617/4885

“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.