SCHEMBL4994867

SCHEMBL4994867

CC(C)(C)OC(=O)N[C@H](COCc1c(F)cccc1F)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.64
PPARG P37231 4/20 0.61
CTSS P25774 8/20 0.52
PTPN1 P18031 2/20 0.49
CTSK P43235 5/20 0.48
ACE P12821 1/20 0.46
PPARD Q03181 2/20 0.45
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
TGM2 P21980 1/20 0.43
IDO1 P14902 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 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
SCHEMBL4994875 1.00 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007427 0.92 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007429 0.92 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007450 0.91 PPARA (0.57) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007453 0.91 PPARA (0.57) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007442 0.89 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007444 0.89 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001100 0.87 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001080 0.87 PPARA (0.57) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001099 0.87 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497317-B1 DIPEPTIDIC GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-09-06 EP disclosed
US-20060167268-A1 Growth hormone secretagogues ELI LILLY AND COMPANY, PATENT DIVISION, (US) 2006-07-27 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1497316-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2005-01-19 EP disclosed
WO-2003087070-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-10-23 WO 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-20060167268-A1 Growth hormone secretagogues GHSR, GHRHR, CRH PPARA 1477/4885PPARG 385/4885CTSS 683/4885

“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.