SCHEMBL31688554

SCHEMBL31688554

CC(C)(C)OC(=O)NCCOCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.59
▸ MDM2 Q00987 3/20 0.51
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TLR1 Q15399 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
SCHEMBL16112812 0.99 TLR2 (0.58) TLR2MDM2MDM4TP53KMT2A
SCHEMBL12254867 0.95 TLR2 (0.57) TLR2MDM2MDM4TP53KMT2A
SCHEMBL16048758 0.93 TLR2 (0.51) TLR2MDM2MDM4TP53KMT2A
SCHEMBL16048760 0.93 TLR2 (0.51) TLR2MDM2MDM4TP53KMT2A
SCHEMBL30684555 0.93 TLR2 (0.58) TLR2MDM2MDM4TP53KMT2A
SCHEMBL31370078 0.92 TLR2 (0.56) TLR2MDM2MDM4TP53KMT2A
SCHEMBL14433000 0.92 TLR2 (0.59) TLR2MDM2MDM4TP53KMT2A
SCHEMBL20561672 0.92 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL20561674 0.92 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL30895547 0.92 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A

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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TLR2 3794/4885MDM2 631/4885MDM4 1740/4885

“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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