SCHEMBL6722972

SCHEMBL6722972

CCOC(=O)C1(C(=O)OCC)CCC(=O)N1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
OPRM1 P35372 6/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6727304 0.86 ALDH1A1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6724373 0.85 MMP13 (0.46) MMP13OPRM1GAALMNA
SCHEMBL6731167 0.84 MMP13 (0.58) MMP13SMN1; SMN2LMNA
SCHEMBL6723960 0.84 ALDH1A1 (0.50) GAALMNA
SCHEMBL7231592 0.81 MMP2 (0.52) MMP13SMN1; SMN2GAALMNA
SCHEMBL11070123 0.79 GAA (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6731518 0.76 ADAM17 (0.55) MMP13
SCHEMBL6326727 0.72 MMP13 (0.46) MMP13OPRM1OPRK1
SCHEMBL9730368 0.72 MMP13 (0.63) MMP13SMN1; SMN2
SCHEMBL6324181 0.71 MMP13 (0.47) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US disclosed
WO-2003091252-A1 SPIROBARBITURIC ACID DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-06 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-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases MMP13, MMP3, MMP1 MMP13 1/4885OPRM1 972/4885OPRD1 474/4885

“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.