SCHEMBL1371647

SCHEMBL1371647

CC(C)(C)OC(=O)NC(COCc1ccccc1OC(F)(F)F)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.61
PPARG P37231 4/20 0.59
CTSS P25774 2/20 0.50
PTPN1 P18031 1/20 0.46
SCN9A Q15858 9/20 0.46
CACNA1C Q13936 2/20 0.46
CYP3A4 P08684 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
CTSK P43235 1/20 0.44
ACE P12821 1/20 0.44
CACNA1B Q00975 1/20 0.44
TACR1 P25103 1/20 0.44
PPARD Q03181 2/20 0.43

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
SCHEMBL1371645 1.00 PPARA (0.61) PPARAPPARGCTSSPTPN1SCN9A
SCHEMBL5001325 1.00 PPARA (0.61) PPARAPPARGCTSSPTPN1SCN9A
SCHEMBL5007447 0.88 PPARA (0.65) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007452 0.88 PPARA (0.65) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL1270449 0.86 SCN9A (0.54) CTSSPTPN1SCN9ACACNA1CCYP3A4
SCHEMBL1270451 0.86 SCN9A (0.54) CTSSPTPN1SCN9ACACNA1CCYP3A4
SCHEMBL5001374 0.84 PPARA (0.64) PPARAPPARGCTSSPTPN1SCN9A
SCHEMBL5001376 0.84 PPARA (0.64) PPARAPPARGCTSSPTPN1SCN9A
SCHEMBL5004857 0.84 PPARA (0.66) PPARAPPARGCTSSPTPN1SCN9A
SCHEMBL5004856 0.84 PPARA (0.66) PPARAPPARGCTSSPTPN1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 PPARA 1880/4885PPARG 2471/4885CTSS 3141/4885

“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.