SCHEMBL1966993

SCHEMBL1966993

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
DHODH Q02127 5/20 0.62
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.56
HPGD P15428 2/20 0.54
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTPN11 Q06124 1/20 0.52
ALPL P05186 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 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
SCHEMBL11159408 0.89 MAPT (0.62) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL1968834 0.89 TRPM8 (0.60) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL11161509 0.86 ALDH1A1 (0.76) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL4786383 0.86 DHODH (0.62) MAPTDHODHALDH1A1HSD17B10HPGD
SCHEMBL1340065 0.86 TRPM8 (0.62) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL6492363 0.86 PTGDR2 (0.55) MAPTTRPM8DHODHALDH1A1PTGDR2
SCHEMBL8823153 0.86 ALDH1A1 (0.75) TRPM8DHODHALDH1A1HSD17B10HPGD
SCHEMBL1968418 0.84 TRPM8 (0.65) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL1968897 0.83 MEN1 (0.65) MAPTTRPM8DHODHALDH1A1HSD17B10
SCHEMBL1398715 0.81 PTGDR2 (0.62) MAPTDHODHALDH1A1PTGDR2CDC7

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 MAPT 1419/4885TRPM8 161/4885DHODH 3582/4885

“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.