SCHEMBL6023284

SCHEMBL6023284

Cc1cc(COc2ccc(C3=NOC(CC(NC(=O)OC(C)(C)C)C(=O)NO)C3)cc2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.57
MMP2 P08253 7/20 0.57
MMP1 P03956 3/20 0.57
MMP9 P14780 2/20 0.57
MMP13 P45452 1/20 0.47
ADAM10 O14672 1/20 0.47
MMP3 P08254 2/20 0.46
ADAM33 Q9BZ11 2/20 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
SCHEMBL6023235 0.92 ADAM17 (0.51) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL6022835 0.86 ADAM17 (0.54) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL6885357 0.83 ADAM17 (0.54) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL6023772 0.82 ADAM17 (0.61) ADAM17MMP2MMP1MMP9MMP13
SCHEMBL6886264 0.82 ADAM17 (0.52) ADAM17MMP2MMP13
SCHEMBL6023378 0.81 ADAM17 (0.56) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6023580 0.81 ADAM17 (0.55) ADAM17MMP2MMP9MMP13MMP3
Trifluoroacetic Acid SCHEMBL6023787 0.79 ADAM17 (0.44) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6023570 0.79 MIF (0.58) ADAM17MMP13
SCHEMBL6023170 0.78 ADAM17 (0.58) ADAM17MMP3

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 6 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
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 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
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 1/4885MMP1 2/4885

“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.