SCHEMBL31369929

SCHEMBL31369929

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1cncc(O)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KMT2A Q03164 2/20 0.36
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
CASP3 P42574 1/20 0.34
PTPN1 P18031 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SLC17A5 Q9NRA2 1/20 0.33

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
SCHEMBL30684530 0.91 EPHX2 (0.41) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL25179560 0.90 PTGIR (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL29855063 0.90 PTGIR (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL25178688 0.90 PTGIR (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL29633721 0.90 PTGIR (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL25356404 0.89 FABP5 (0.38) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL25356398 0.89 FABP5 (0.38) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL31754272 0.89 MDM4 (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL29633955 0.89 MDM4 (0.37) EPHX2ITGB3ITGA2BKMT2AFABP5
SCHEMBL29633775 0.89 FABP5 (0.38) EPHX2ITGB3ITGA2BKMT2AFABP5

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 EPHX2 4829/4885ITGB3 4142/4885ITGA2B 3266/4885

“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.