SCHEMBL31369913

SCHEMBL31369913

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.56
▸ MDM2 Q00987 6/20 0.54
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ TNF P01375 1/20 0.48

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
SCHEMBL31370430 1.00 TLR2 (0.56) TLR2MDM2MDM4TP53HDAC1
SCHEMBL30951923 0.99 TLR2 (0.55) TLR2MDM2MDM4TP53HDAC1
SCHEMBL31369912 0.99 TLR2 (0.55) TLR2MDM2MDM4TP53HDAC1
SCHEMBL25358591 0.99 TLR2 (0.55) TLR2MDM2MDM4TP53HDAC1
SCHEMBL25358587 0.99 TLR2 (0.55) TLR2MDM2MDM4TP53HDAC1
SCHEMBL30317196 0.92 MDM4 (0.55) TLR2MDM2MDM4TP53
SCHEMBL8893047 0.89 MDM2 (0.60) TLR2MDM2MDM4TP53HDAC1
SCHEMBL8892538 0.89 MDM2 (0.60) TLR2MDM2MDM4TP53HDAC1
SCHEMBL25361808 0.89 TLR2 (0.59) TLR2MDM2MDM4TP53TNF
SCHEMBL25361805 0.89 TLR2 (0.59) TLR2MDM2MDM4TP53TNF

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 4097/4885MDM2 2036/4885MDM4 2155/4885

“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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