SCHEMBL3307488

SCHEMBL3307488

CC(C)(C)OC(C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.45
KMT2A Q03164 2/20 0.45
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL3307485 1.00 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13395717 1.00 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13395710 1.00 CASP3 (0.45) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL26845777 0.87 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL28146359 0.87 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29658885 0.87 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13395758 0.87 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3303636 0.85 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL5140012 0.85 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL3304282 0.85 CASP3 (0.48) CASP3KMT2AMDM4TP53

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-20100099845-A1 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-04-22 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-20100099845-A1 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME PTMS, DHPS, DAO CASP3 2193/4885KMT2A 989/4885MDM4 2915/4885

“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.