SCHEMBL31369979

SCHEMBL31369979

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
EPHX2 P34913 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL25182245 1.00 SLC1A1 (0.40) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL29855115 1.00 SLC1A1 (0.40) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL29983403 1.00 SLC1A1 (0.40) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL25172765 1.00 SLC1A1 (0.40) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL31370344 0.92 FABP5 (0.38) KMT2APPARGPPARAMDM4TP53
SCHEMBL29633822 0.90 EPHX2 (0.39) MEN1KMT2APPARGPPARAMDM4
SCHEMBL31369766 0.90 EPHX2 (0.39) MEN1KMT2APPARGPPARAMDM4
SCHEMBL118926 0.89 ITGB3 (0.45) KMT2APPARGPPARAITGB3ITGA2B
SCHEMBL120595 0.89 ITGB3 (0.45) KMT2APPARGPPARAITGB3ITGA2B
SCHEMBL120592 0.89 ITGB3 (0.45) KMT2APPARGPPARAITGB3ITGA2B

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 SLC1A1 305/4885MEN1 4354/4885KMT2A 3415/4885

“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.