SCHEMBL1966336

SCHEMBL1966336

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.59
ALDH1A1 P00352 7/20 0.55
HSD17B10 Q99714 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 2/20 0.54
CDC7 O00311 4/20 0.51
DBF4 Q9UBU7 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4743844 0.87 ALDH1A1 (0.57) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1340195 0.85 TRPM8 (0.65) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1968418 0.85 TRPM8 (0.65) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1398736 0.84 ALDH1A1 (0.52) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL4786383 0.84 DHODH (0.62) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL8823153 0.84 ALDH1A1 (0.75) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL6766164 0.84 DHODH (0.60) DHODHALDH1A1HSD17B10HPGDCDC7
SCHEMBL1970502 0.82 MAPT (0.67) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL2881560 0.80 CDC7 (0.63) DHODHALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1968834 0.79 TRPM8 (0.60) DHODHALDH1A1HSD17B10HPGDKDM4E

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 DHODH 1365/4885ALDH1A1 690/4885HSD17B10 1862/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 DHODH 3582/4885ALDH1A1 2292/4885HSD17B10 3687/4885

“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.