SCHEMBL6723960

SCHEMBL6723960

CCOC(=O)C1(C(=O)OCC)CCC(=O)N1c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 5/20 0.49
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE4D Q08499 1/20 0.41

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 0.87 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL6724373 0.86 MMP13 (0.46) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL7231592 0.85 MMP2 (0.52) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL6722972 0.84 MMP13 (0.48) GAALMNA
SCHEMBL6731167 0.83 MMP13 (0.58) ALDH1A1POLBL3MBTL1LMNA
SCHEMBL6324181 0.76 MMP13 (0.47)
SCHEMBL6326727 0.76 MMP13 (0.46) MAPT
SCHEMBL6325359 0.76 MMP13 (0.46)
SCHEMBL6731518 0.75 ADAM17 (0.55)
SCHEMBL6322842 0.75 MMP13 (0.46)

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 ALDH1A1 374/4885HPGD 1260/4885POLB 1489/4885

“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.