SCHEMBL10081723

SCHEMBL10081723

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.56
▸ TNF P01375 3/20 0.55
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ MDM2 Q00987 2/20 0.50

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
SCHEMBL30824463 1.00 TLR2 (0.56) TLR2TNFMDM4TP53CASP3
SCHEMBL8223034 1.00 TLR2 (0.56) TLR2TNFMDM4TP53CASP3
SCHEMBL30323573 0.96 TLR2 (0.61) TLR2TNFMDM4TP53CASP3
SCHEMBL14049640 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL13464732 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL31126369 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL29613683 0.89 CASP3 (0.55) TLR2TNFMDM4TP53CASP3
SCHEMBL30656568 0.89 MDM4 (0.59) TNFMDM4TP53CASP3MDM2
SCHEMBL18699448 0.89 TLR2 (0.49) TLR2TNFCASP3
SCHEMBL6190530 0.87 CASP3 (0.57) TLR2TNFMDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185908-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES Pfizer Inc (US) 2017-07-05 — — EP disclosed
WO-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
US-8883963-B2 Peptidomimetics with glucagon antagonistic and GLP 1 agonistic activities CADILA HEALTHCARE LIMITED (IN) 2014-11-11 — — US disclosed
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
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2012-01-26 — — 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 (2 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 2326/4885MDM4 3879/4885
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES GLP1R, GPR119, GIPR TLR2 1355/4885TNF 2511/4885MDM4 4752/4885

“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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