SCHEMBL1968418

SCHEMBL1968418

CCOC(=O)c1sc(C)nc1-c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.65
DHODH Q02127 7/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.53
CFTR P13569 1/20 0.53
CDC7 O00311 4/20 0.51
DBF4 Q9UBU7 4/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2492109 0.90 TRPM8 (0.65) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL1920374 0.89 TRPM8 (0.64) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2489842 0.88 ALDH1A1 (0.73) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL4743844 0.87 ALDH1A1 (0.57) TRPM8DHODHALDH1A1HSD17B10KDM4E
SCHEMBL1966336 0.85 DHODH (0.59) DHODHALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1340195 0.85 TRPM8 (0.65) TRPM8DHODHALDH1A1HSD17B10KDM4E
SCHEMBL1966993 0.84 MAPT (0.62) TRPM8DHODHALDH1A1HSD17B10KDM4E
SCHEMBL8823153 0.84 ALDH1A1 (0.75) TRPM8DHODHALDH1A1HSD17B10KDM4E
SCHEMBL1398713 0.83 KMT2A (0.52) TRPM8KDM4EMAPTCDC7DBF4
SCHEMBL15428574 0.83 KMT2A (0.52) TRPM8MAPTCDC7DBF4KMT2A

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 6 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
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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 (2 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR TRPM8 237/4885DHODH 1365/4885PDE4A 2008/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TRPM8 161/4885DHODH 3582/4885PDE4A 932/4885

“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.