SCHEMBL14768586

SCHEMBL14768586

CCC(C)(CC)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
PPARA Q07869 3/20 0.54
CTSS P25774 4/20 0.51
PPARG P37231 2/20 0.49
ATM Q13315 2/20 0.48
CTSL P07711 2/20 0.47
MAPT P10636 1/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 1/20 0.46
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
ACE P12821 1/20 0.45
POLB P06746 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
SCHEMBL14768567 0.88 SYK (0.57) SYKPPARACTSSPPARGATM
SCHEMBL4904600 0.88 SYK (0.57) SYKPPARACTSSPPARGATM
SCHEMBL34470799 0.87 SYK (0.56) SYKPPARACTSSPPARGATM
SCHEMBL21156218 0.86 SYK (0.55) SYKPPARACTSSPPARGATM
SCHEMBL34471377 0.86 SYK (0.55) SYKPPARACTSSPPARGATM
SCHEMBL25602602 0.85 SYK (0.55) SYKPPARACTSSPPARGATM
SCHEMBL2436732 0.85 SYK (0.54) SYKPPARACTSSPPARGATM
SCHEMBL24049692 0.84 SYK (0.53) SYKPPARACTSSPPARGATM
SCHEMBL18921977 0.82 SYK (0.52) SYKPPARACTSSPPARGATM
SCHEMBL24837876 0.82 SYK (0.52) SYKPPARACTSSPPARGATM

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 SYK 4024/4885PPARA 2907/4885CTSS 1849/4885

“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.