SCHEMBL1966985

SCHEMBL1966985

CCOC(=O)C(Cl)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SLC6A4 P31645 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.42
MAOB P27338 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11371745 0.87 CA12 (0.46) NPSR1ALDH1A1
SCHEMBL1966784 0.83 CES2 (0.51) CES2NPSR1POLBGAAALDH1A1
SCHEMBL1340269 0.83 KMT2A (0.48) EPHX2PPARGCES2CES1NPSR1
SCHEMBL1970298 0.82 KMT2A (0.44) CES2CES1SLC6A4GAAALDH1A1
SCHEMBL12056592 0.82 GSK3B (0.50) GSK3BEPHX2PPARGCES2CES1
SCHEMBL1965917 0.81 SMN1; SMN2 (0.51) EPHX2CES2CES1NPSR1POLB
Hydrochloric Acid SCHEMBL4301361 0.81 GSK3B (0.49) GSK3BEPHX2PPARGCES2CES1
SCHEMBL28666584 0.80 MGLL (0.46) GSK3BPPARGCES2CES1ALDH1A1
SCHEMBL13513405 0.79 NPC1 (0.56) POLBGAAALDH1A1MAPT
SCHEMBL670205 0.79 NPC1 (0.56) POLBGAAALDH1A1MAPT

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 GSK3B 3215/4885EPHX2 1117/4885PPARG 1470/4885

“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.