SCHEMBL31370554

SCHEMBL31370554

CCCOc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.52
PPARA Q07869 8/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARD Q03181 4/20 0.39
CYP2C19 P33261 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 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
SCHEMBL31370590 0.92 PPARG (0.52) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL16634664 0.89 ITGB3 (0.54) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL29633734 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2B
SCHEMBL8713900 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2B
SCHEMBL29981783 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2B
SCHEMBL25358372 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2B
SCHEMBL6318711 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2B
SCHEMBL25356274 0.88 PPARG (0.43) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL25356271 0.88 PPARG (0.43) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL120595 0.88 ITGB3 (0.45) PPARGPPARAITGB3ITGA2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 3591/4885PPARA 3450/4885ITGB3 4142/4885

“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.