SCHEMBL31369859

SCHEMBL31369859

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccccc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL24633715 1.00 FABP5 (0.47) FABP5FABP7PPARGPPARAKMT2A
SCHEMBL25178524 1.00 FABP5 (0.47) FABP5FABP7PPARGPPARAKMT2A
SCHEMBL29855186 1.00 FABP5 (0.47) FABP5FABP7PPARGPPARAKMT2A
SCHEMBL25360126 0.93 FABP5 (0.44) FABP5FABP7KMT2AALDH1A1HPGD
SCHEMBL25360123 0.93 FABP5 (0.44) FABP5FABP7KMT2AALDH1A1HPGD
SCHEMBL31369420 0.90 KMT2A (0.48) FABP5FABP7KMT2ACASP3
SCHEMBL21837824 0.89 FABP5 (0.45) FABP5FABP7KMT2AALDH1A1HPGD
SCHEMBL21837826 0.89 FABP5 (0.45) FABP5FABP7KMT2AALDH1A1HPGD
SCHEMBL25182166 0.88 FABP5 (0.40) FABP5FABP7PPARGPPARAKMT2A
SCHEMBL24633714 0.88 FABP5 (0.40) FABP5FABP7PPARGPPARAKMT2A

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 FABP5 424/4885FABP7 508/4885PPARG 3591/4885

“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.