SCHEMBL6024331

SCHEMBL6024331

Cc1cc(COc2ccc(/C=N/O)cc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.55
MMP13 P45452 2/20 0.55
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
ADAMTS4 O75173 1/20 0.49
MMP2 P08253 1/20 0.49

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
SCHEMBL6024334 1.00 ADAM17 (0.55) ADAM17MMP13NPC1CASP3RAB9A
SCHEMBL3967858 0.86 ADAM17 (0.58) ADAM17MMP13MMP2
SCHEMBL4058393 0.85 ADAM17 (0.60) ADAM17MMP13MMP2
SCHEMBL5035364 0.85 ADAM17 (0.57) ADAM17MMP13ADAMTS4MMP2
SCHEMBL5887895 0.84 ADAM17 (0.61) ADAM17MMP13SMN1; SMN2ADAMTS4MMP2
SCHEMBL6632245 0.84 ADAM17 (0.63) ADAM17MMP13SMN1; SMN2MMP2
SCHEMBL8353322 0.83 ADAM17 (0.62) ADAM17MMP13MMP2
SCHEMBL5887602 0.81 ADAM17 (0.61) ADAM17MMP13MMP2
SCHEMBL5887489 0.81 ADAM17 (0.58) ADAM17MMP13
SCHEMBL1364646 0.80 ADAM17 (0.60) ADAM17MMP13MMP2

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 5/4885MMP13 16/4885NPC1 2341/4885

“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.