SCHEMBL10137531

SCHEMBL10137531

CNC(=O)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.52
CASP3 P42574 4/20 0.52
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
PIN1 Q13526 1/20 0.44

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
SCHEMBL24579463 1.00 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14234625 0.90 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL16582461 0.88 KMT2A (0.54) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31697406 0.88 KMT2A (0.51) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14438600 0.87 CASP3 (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL16000769 0.87 CASP3 (0.50) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1667845 0.87 CASP3 (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL22144908 0.87 CASP3 (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL19067361 0.87 CASP3 (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL24579257 0.87 CASP3 (0.50) KMT2AEPHX2CASP3MDM4TP53

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-9162223-B2 Alkaline-stable chromatographic resins NORTH CAROLINA STATE UNIVERSITY (US) 2015-10-20 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ KMT2A 3597/4885EPHX2 2808/4885CASP3 3540/4885

“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.