SCHEMBL17935596

SCHEMBL17935596

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TLR2 O60603 2/20 0.45
TLR1 Q15399 1/20 0.45
MDM2 Q00987 1/20 0.44
CASP3 P42574 2/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL18725627 1.00 KMT2A (0.55) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL21461837 0.91 KMT2A (0.55) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL30983384 0.90 KMT2A (0.60) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL17130698 0.90 SYK (0.49) KMT2ATLR2TLR1MDM2SYK
SCHEMBL18826572 0.90 KMT2A (0.48) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL4600617 0.89 KMT2A (0.56) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL29483213 0.89 KMT2A (0.56) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL4600619 0.89 KMT2A (0.56) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL29397881 0.89 KMT2A (0.56) KMT2ATLR2TLR1MDM2CASP3
SCHEMBL22151447 0.88 KMT2A (0.43) KMT2ATLR2TLR1MDM2CASP3

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 KMT2A 2836/4885TLR2 4740/4885TLR1 4774/4885
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 KMT2A 2287/4885TLR2 4670/4885TLR1 4726/4885

“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.