SCHEMBL14768576

SCHEMBL14768576

CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1ccccc1)C1(C)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
SYK P43405 1/20 0.49
PPARA Q07869 3/20 0.47
CTSS P25774 4/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
KLK5 Q9Y337 3/20 0.43
KLK7 P49862 2/20 0.43
CACNA1B Q00975 4/20 0.43
CTSB P07858 2/20 0.43
PPARG P37231 2/20 0.43
CTSK P43235 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL18431051 0.87 SYK (0.50) CTSLSYKPPARACTSSMAPT
SCHEMBL19027635 0.85 SYK (0.50) CTSLSYKPPARACTSSMAPT
SCHEMBL12937431 0.84 CYP3A4 (0.47) CTSLCTSSATMCTSB
SCHEMBL8267044 0.82 CYP3A4 (0.52) CTSLCTSSATMCTSBCTSK
SCHEMBL8264575 0.81 PPARA (0.51) CTSLSYKPPARACTSSMAPT
SCHEMBL12937744 0.80 CYP1A2 (0.44) CTSLCTSSMAPTCTSKCA1
SCHEMBL8626667 0.79 SYK (0.48) CTSLSYKPPARACTSSMAPT
SCHEMBL583877 0.79 CTSK (0.39) CTSLCTSSCTSBCTSKCA1
SCHEMBL583878 0.79 CTSK (0.39) CTSLCTSSCTSBCTSKCA1
SCHEMBL1492103 0.79 CTSK (0.39) CTSLCTSSCTSBCTSKCA1

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-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 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-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE BCAT2, BCAT1, AADAT CTSL 970/4885SYK 4024/4885PPARA 2907/4885

“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.