SCHEMBL31369490

SCHEMBL31369490

Cc1ccc(CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.63
▸ TLR2 O60603 2/20 0.50
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ TGM2 P21980 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47

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
SCHEMBL30896037 0.93 MDM2 (0.61) MDM2TLR2MDM4TP53CASP3
SCHEMBL30510369 0.93 MDM2 (0.61) MDM2TLR2MDM4TP53CASP3
SCHEMBL25657513 0.93 MDM2 (0.61) MDM2TLR2MDM4TP53CASP3
SCHEMBL22444591 0.93 MDM2 (0.61) MDM2TLR2MDM4TP53CASP3
SCHEMBL25728007 0.90 MDM2 (0.55) MDM2TLR2TGM2
SCHEMBL3733904 0.89 MDM2 (0.56) MDM2TLR2MDM4TP53CASP3
SCHEMBL30861860 0.89 MDM2 (0.56) MDM2TLR2MDM4TP53CASP3
SCHEMBL30278729 0.89 MDM2 (0.56) MDM2TLR2MDM4TP53CASP3
SCHEMBL430008 0.89 MDM2 (0.56) MDM2TLR2MDM4TP53CASP3
SCHEMBL3732565 0.89 MDM2 (0.56) MDM2TLR2MDM4TP53CASP3

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 2036/4885TLR2 4097/4885MDM4 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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