SCHEMBL1970502

SCHEMBL1970502

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
DHODH Q02127 5/20 0.57
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RORB Q92753 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL11165291 0.89 ALDH1A1 (0.69) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL2493738 0.89 MAPT (0.65) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL11278694 0.88 MAPT (0.64) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1968897 0.85 MEN1 (0.65) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1340195 0.84 TRPM8 (0.65) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1398676 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4743844 0.84 ALDH1A1 (0.57) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1968418 0.82 TRPM8 (0.65) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1966336 0.82 DHODH (0.59) MAPTMEN1KMT2ADHODHALDH1A1
SCHEMBL1198591 0.81 MAPT (0.81) MAPTMEN1KMT2AALDH1A1HPGD

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 7 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
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 CN 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 MAPT 1096/4885MEN1 659/4885KMT2A 1736/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MAPT 1419/4885MEN1 525/4885KMT2A 253/4885

“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.