SCHEMBL5452734

SCHEMBL5452734

CCCCOC(=O)NC(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.50
▸ TLR2 O60603 4/20 0.49
▸ MDM2 Q00987 1/20 0.45

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
SCHEMBL29907904 0.88 CASP3 (0.55) CASP3KMT2ATLR2MDM2
SCHEMBL765306 0.84 TLR2 (0.55) CASP3KMT2ATLR2MDM2
SCHEMBL4598995 0.83 CASP3 (0.57) CASP3KMT2AMDM2
SCHEMBL30954537 0.83 TLR2 (0.49) CASP3KMT2ATLR2
SCHEMBL30824463 0.83 TLR2 (0.56) CASP3TLR2MDM2
SCHEMBL10081723 0.83 TLR2 (0.56) CASP3TLR2MDM2
SCHEMBL8223034 0.83 TLR2 (0.56) CASP3TLR2MDM2
SCHEMBL7713440 0.82 TLR2 (0.57) CASP3KMT2ATLR2MDM2
SCHEMBL5202723 0.82 TLR2 (0.59) CASP3KMT2ATLR2MDM2
SCHEMBL30434908 0.82 TLR2 (0.57) CASP3KMT2ATLR2MDM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CASP3 760/4885KMT2A 3406/4885TLR2 2757/4885

“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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