SCHEMBL31370328

SCHEMBL31370328

O=C(N[C@@H](Cc1ccc(F)c(I)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.51
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ PTPN1 P18031 4/20 0.47
▸ CASP3 P42574 2/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.44

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
SCHEMBL120627 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL29400931 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL29445603 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL3728822 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL119539 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL29908133 0.91 MDM2 (0.54) MDM2MDM4TP53PTPN1CASP3
SCHEMBL24489613 0.89 FOLH1 (0.51) MDM2MDM4TP53PTPN1CASP3
SCHEMBL14584328 0.89 FOLH1 (0.51) MDM2MDM4TP53PTPN1CASP3
SCHEMBL2030857 0.89 FOLH1 (0.51) MDM2MDM4TP53PTPN1CASP3
SCHEMBL29398014 0.89 FOLH1 (0.51) MDM2MDM4TP53PTPN1CASP3

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 MDM2 2036/4885MDM4 2155/4885TP53 3262/4885

“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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