SCHEMBL3303636

SCHEMBL3303636

CC(C)(C)O[C@H]([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.48
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.45
MDM2 Q00987 1/20 0.43
SLC17A5 Q9NRA2 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
SCHEMBL3304282 1.00 CASP3 (0.48) CASP3MDM4TP53KMT2AMDM2
SCHEMBL5140012 1.00 CASP3 (0.48) CASP3MDM4TP53KMT2AMDM2
SCHEMBL2367241 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL1738651 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL31575313 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL2366569 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL119402 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL2366563 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL30252212 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A
SCHEMBL29401455 0.87 CASP3 (0.50) CASP3MDM4TP53KMT2A

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 3 patents. 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 claimed
US-20100099845-A1 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-04-22 US disclosed
WO-2008034095-A2 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-03-20 WO 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 2193/4885MDM4 2915/4885TP53 2553/4885

“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.