SCHEMBL4452998

SCHEMBL4452998

COCC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.36
AAK1 Q2M2I8 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL25185757 1.00 MMP13 (0.36) MMP13AAK1MEN1GAAKMT2A
SCHEMBL27130846 0.88 AAK1 (0.40) MMP13AAK1REN
SCHEMBL27032866 0.88 AAK1 (0.40) MMP13AAK1REN
SCHEMBL4452992 0.87 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL4445820 0.87 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL25185703 0.87 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL31407666 0.84 MMP13 (0.35) MMP13AAK1MEN1GAAKMT2A
SCHEMBL22651558 0.83 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL20826464 0.83 HDAC1 (0.41) MMP13AAK1MEN1GAAKMT2A
SCHEMBL66573 0.83 HDAC1 (0.41) MMP13AAK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 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 (2 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 MMP13 2905/4885AAK1 4583/4885MEN1 4664/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 MMP13 4321/4885AAK1 1714/4885MEN1 105/4885

“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.