SCHEMBL31369428

SCHEMBL31369428

O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NCc1cc[nH]c(=O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ MDM4 O15151 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ MDM2 Q00987 6/20 0.43
▸ TNF P01375 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL31370449 0.87 TLR2 (0.60) TLR2MDM4TP53MDM2TNF
SCHEMBL119437 0.87 TLR2 (0.60) TLR2MDM4TP53MDM2TNF
SCHEMBL25358310 0.85 MDM4 (0.50) MDM4TP53SLC17A5MDM2TNF
SCHEMBL25358304 0.85 MDM4 (0.50) MDM4TP53SLC17A5MDM2TNF
SCHEMBL31369592 0.85 MDM4 (0.50) MDM4TP53SLC17A5MDM2TNF
SCHEMBL120504 0.85 TLR2 (0.55) TLR2MDM4TP53SLC17A5MDM2
SCHEMBL25353937 0.83 TLR2 (0.56) TLR2MDM4TP53SLC17A5MDM2
SCHEMBL25353942 0.83 TLR2 (0.56) TLR2MDM4TP53SLC17A5MDM2
Hydrochloric Acid SCHEMBL25356976 0.82 TLR2 (0.57) TLR2MDM4TP53SLC17A5MDM2
SCHEMBL25358181 0.82 TLR2 (0.55) TLR2MDM4TP53SLC17A5MDM2

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 TLR2 4097/4885MDM4 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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