SCHEMBL31369461

SCHEMBL31369461

N#Cc1cccc(-c2cccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.50
TP53 P04637 3/20 0.50
GPR34 Q9UPC5 1/20 0.46
MDM2 Q00987 5/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CASP3 P42574 2/20 0.43
SLC17A5 Q9NRA2 1/20 0.43
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.43
TNF P01375 1/20 0.43

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
SCHEMBL3727547 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL120479 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL119454 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL29907902 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL29528946 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL30686154 0.95 MDM4 (0.50) MDM4TP53GPR34MDM2CASP3
SCHEMBL25357411 0.93 MDM4 (0.49) MDM4TP53MDM2CTSBCTSS
SCHEMBL25357407 0.93 MDM4 (0.49) MDM4TP53MDM2CTSBCTSS
SCHEMBL31210296 0.91 MDM4 (0.56) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL9170986 0.88 MDM4 (0.56) MDM4TP53MDM2CASP3SLC17A5

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 MDM4 2155/4885TP53 3262/4885GPR34 3019/4885

“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.