SCHEMBL3970844

SCHEMBL3970844

Cc1cc(COc2ccc3c(C=O)cccc3c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.53
ADAM17 P78536 9/20 0.51
MMP13 P45452 2/20 0.51
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP12 P39900 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL3964657 0.82 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3964650 0.82 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3970842 0.82 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL6806013 0.81 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL4058393 0.81 ADAM17 (0.60) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3974896 0.80 CYP1A2 (0.43) ADAM17MMP3MMP7RAB9A
SCHEMBL6632245 0.77 ADAM17 (0.63) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL8353322 0.76 ADAM17 (0.62) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL6209407 0.75 ADAM17 (0.56) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL5887602 0.75 ADAM17 (0.61) MMP2ADAM17MMP13MMP3MMP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MMP2 6/4885ADAM17 27/4885MMP13 8/4885

“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.