SCHEMBL13464732

SCHEMBL13464732

CCCCOC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.63
▸ TNF P01375 3/20 0.56
▸ MDM2 Q00987 5/20 0.53
▸ MDM4 O15151 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CASP3 P42574 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
SCHEMBL31126369 1.00 TLR2 (0.63) TLR2TNFMDM2MDM4TP53
SCHEMBL14049640 1.00 TLR2 (0.63) TLR2TNFMDM2MDM4TP53
SCHEMBL8223034 0.90 TLR2 (0.56) TLR2TNFMDM2MDM4TP53
SCHEMBL10081723 0.90 TLR2 (0.56) TLR2TNFMDM2MDM4TP53
SCHEMBL25392045 0.89 MDM4 (0.57) TLR2TNFMDM2MDM4TP53
SCHEMBL25392047 0.89 MDM4 (0.57) TLR2TNFMDM2MDM4TP53
SCHEMBL1044856 0.88 TLR2 (0.62) TLR2TNFMDM2MDM4TP53
SCHEMBL7420121 0.88 TLR2 (0.62) TLR2TNFMDM2MDM4TP53
SCHEMBL1000115 0.88 TLR2 (0.62) TLR2TNFMDM2MDM4TP53
SCHEMBL25357224 0.88 TLR2 (0.65) TLR2TNFMDM2MDM4TP53

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-20120264685-A1 SHORT CHAIN PEPTIDOMIMETICS BASED ORALLY ACTIVE GLP 1 AGONIST AND GLUCAGON RECEPTOR ANTAGONIST CADILA HEALTHCARE LIMITED (IN) 2012-10-18 — — 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-20120264685-A1 SHORT CHAIN PEPTIDOMIMETICS BASED ORALLY ACTIVE GLP 1 AGONIST AND GLUCAGON RECEPTOR ANTAGONIST GIPR, GLP1R, DPP4 TLR2 1621/4885TNF 2326/4885MDM2 2716/4885

“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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