SCHEMBL17935598

SCHEMBL17935598

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ PIN1 Q13526 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL31520503 0.84 CASP3 (0.50) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL9449865 0.84 CASP3 (0.50) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29398691 0.84 CASP3 (0.50) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL25186508 0.82 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL119197 0.82 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29400907 0.82 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL30759963 0.82 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14265318 0.82 CASP3 (0.59) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL17130775 0.82 PTPN1 (0.50) CASP3PTPN1
SCHEMBL11902467 0.82 CASP3 (0.45) CASP3KMT2AMDM4TP53PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170232055-A1 METHODS OF SYNTHESIZING GAMMA-AAPEPTIDES, GAMMA-AAPEPTIDE BUILDING BLOCKS, GAMMA-AAPEPTIDE LIBRARIES, AND GAMMA-AAPEPTIDE INHIBITORS OF ALPHA-BETA40 AGGREGATES UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-17 — — US disclosed
US-20160209422-A1 METHODS OF SYNTHESIZING y-AAPEPTIDES, y-AAPEPTIDE BUILDING BLOCKS, y-AAPEPTIDE LIBRARIES, AND y-AAPEPTIDE INHIBITORS OF Ab40 AGGREGATES UNIVERSITY OF SOUTH FLORIDA (US) 2016-07-21 — — 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-20170232055-A1 METHODS OF SYNTHESIZING GAMMA-AAPEPTIDES, GAMMA-AAPEPTIDE BUILDING BLOCKS, GAMMA-AAPEPTIDE LIBRARIES, AND GAMMA-AAPEPTIDE INHIBITORS OF ALPHA-BETA40 AGGREGATES APP, APBA1, IAPP CASP3 1860/4885KMT2A 2836/4885PIN1 1386/4885
US-20160209422-A1 METHODS OF SYNTHESIZING y-AAPEPTIDES, y-AAPEPTIDE BUILDING BLOCKS, y-AAPEPTIDE LIBRARIES, AND y-AAPEPTIDE INHIBITORS OF Ab40 AGGREGATES APBA1, APP, IAPP CASP3 1810/4885KMT2A 2287/4885PIN1 2075/4885

“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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