SCHEMBL31370286

SCHEMBL31370286

CC(C)(C)Oc1ccc(CCCN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ PPARG P37231 4/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ FABP5 Q01469 3/20 0.36
▸ FABP7 O15540 2/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ CASP3 P42574 1/20 0.34

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
SCHEMBL31369857 0.89 LPAR1 (0.46) KMT2AFABP5LPAR1MDM2
SCHEMBL31688634 0.87 KMT2A (0.37) KMT2AOPRD1FABP5FABP7LPAR1
SCHEMBL31369593 0.85 FABP5 (0.42) KMT2APPARGPPARAOPRD1FABP5
SCHEMBL31370020 0.83 KMT2A (0.42) KMT2AOPRD1FABP5FABP7CASP3
SCHEMBL31369526 0.83 KMT2A (0.42) KMT2AFABP5FABP7MDM2CASP3
SCHEMBL30639568 0.82 KMT2A (0.44) KMT2AOPRD1FABP5FABP7CASP3
SCHEMBL21952273 0.82 KMT2A (0.44) KMT2AOPRD1FABP5FABP7CASP3
Hydrochloric Acid SCHEMBL31688770 0.82 KMT2A (0.41) KMT2AOPRD1FABP5FABP7CASP3
SCHEMBL31688945 0.82 KMT2A (0.36) KMT2AOPRD1FABP5FABP7MDM2
SCHEMBL31688637 0.82 KMT2A (0.36) KMT2AOPRD1FABP5FABP7MDM2

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 KMT2A 3415/4885PPARG 3591/4885PPARA 3450/4885

“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.

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