SCHEMBL1968897

SCHEMBL1968897

CCOC(=O)c1sc(C)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HSP90AA1 P07900 1/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
DHODH Q02127 6/20 0.64
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
CDC7 O00311 4/20 0.52
DBF4 Q9UBU7 4/20 0.52
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.46
GSTO1 P78417 1/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL2491226 0.88 MEN1 (0.62) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL28816403 0.88 ALDH1A1 (0.71) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL1970502 0.85 MAPT (0.67) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL1340065 0.85 TRPM8 (0.62) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL1968834 0.85 TRPM8 (0.60) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL4478832 0.84 CDC7 (0.75) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL1966993 0.83 MAPT (0.62) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL4786383 0.83 DHODH (0.62) MEN1KMT2AMAPTKDM4EDHODH
SCHEMBL1398660 0.82 ALOX5 (0.47) MEN1KMT2AMAPTKDM4EHSP90AA1
SCHEMBL8823153 0.82 ALDH1A1 (0.75) MEN1KMT2AKDM4EDHODHALDH1A1

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 4 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
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 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 MEN1 525/4885KMT2A 253/4885MAPT 1419/4885

“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.