SCHEMBL21890680

SCHEMBL21890680

COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.46
KMT2A Q03164 1/20 0.45
MDM2 Q00987 1/20 0.44
PIN1 Q13526 1/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL13366262 1.00 CASP3 (0.46) CASP3KMT2AMDM2PIN1MDM4
SCHEMBL3018041 1.00 CASP3 (0.46) CASP3KMT2AMDM2PIN1MDM4
SCHEMBL31688935 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30229769 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30009709 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL24899351 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL20299865 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL20299866 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL30229458 0.91 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL2591012 0.84 CASP3 (0.58) CASP3KMT2APIN1MDM4TP53

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-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 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-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD CASP3 1550/4885KMT2A 4298/4885MDM2 4176/4885

“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.