SCHEMBL1374891

SCHEMBL1374891

CC(C)(C)OC(=O)N[C@@H](COCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.76
PPARG P37231 7/20 0.73
CTSS P25774 3/20 0.58
CTSK P43235 2/20 0.57
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
PPARD Q03181 2/20 0.48
PTPN1 P18031 4/20 0.48
PTPN2 P17706 3/20 0.47
CDC25B P30305 3/20 0.47
CDC25A P30304 2/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL5001071 1.00 PPARA (0.76) PPARAPPARGCTSSCTSKKLK7
SCHEMBL1374896 1.00 PPARA (0.76) PPARAPPARGCTSSCTSKKLK7
SCHEMBL12130757 0.94 PPARA (0.85) PPARAPPARGCTSSCTSKKLK7
SCHEMBL14058698 0.89 PPARA (0.78) PPARAPPARGCTSSCTSKKLK7
SCHEMBL14058699 0.89 PPARA (0.78) PPARAPPARGCTSSCTSKKLK7
SCHEMBL1132901 0.88 PPARA (0.90) PPARAPPARGCTSSCTSKKLK7
SCHEMBL17051 0.88 PPARA (0.90) PPARAPPARGCTSSCTSKKLK7
SCHEMBL828674 0.88 PPARA (0.90) PPARAPPARGCTSSCTSKKLK7
SCHEMBL5007500 0.88 PPARA (0.73) PPARAPPARGCTSSCTSKKLK7
SCHEMBL5007503 0.88 PPARA (0.73) PPARAPPARGCTSSCTSKKLK7

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-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
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 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.