SCHEMBL6023809

SCHEMBL6023809

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAM17 P78536 7/20 0.51
MMP2 P08253 3/20 0.47
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
ADAM33 Q9BZ11 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
SCHEMBL6023772 0.90 ADAM17 (0.61) MMP13ADAMTS4ADAM17MMP2MMP9
SCHEMBL6023009 0.86 ADAM17 (0.48) MMP13ADAMTS4ADAM17MMP2MMP9
SCHEMBL6023241 0.86 ADAM17 (0.45) MMP13ADAMTS4ADAM17MMP2
Hydrochloric Acid SCHEMBL6023004 0.86 ADAM17 (0.47) MMP13ADAMTS4ADAM17MMP2MMP9
SCHEMBL6024040 0.85 ADAM17 (0.47) MMP13ADAMTS4ADAM17MMP2
SCHEMBL6022889 0.85 ADAMTS4 (0.46) MMP13ADAMTS4ADAM17MMP2MMP3
SCHEMBL6023420 0.84 ADAM17 (0.51) MMP13ADAMTS4ADAM17MMP2MMP9
SCHEMBL6024242 0.84 ADAMTS4 (0.45) MMP13ADAMTS4ADAM17MMP2MMP3
SCHEMBL6023575 0.83 ADAM17 (0.50) ADAMTS4ADAM17MMP3MMP7
SCHEMBL6022825 0.83 ADAM17 (0.50) MMP13ADAMTS4ADAM17MMP2MMP3

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 MMP13 16/4885ADAMTS4 28/4885ADAM17 5/4885

“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.