SCHEMBL2056723

SCHEMBL2056723

Cc1nc(C(=O)N2CCSC2CN)c(-c2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.46
HCRTR2 O43614 10/20 0.39
FPR2 P25090 1/20 0.35
RIPK1 Q13546 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KCNA5 P22460 1/20 0.33
TSPO P30536 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2057193 0.90 HCRTR1 (0.49) HCRTR1HCRTR2FPR2
SCHEMBL2056742 0.88 HCRTR1 (0.41) HCRTR1HCRTR2FPR2KDM4E
SCHEMBL2056861 0.88 HCRTR1 (0.44) HCRTR1HCRTR2FPR2ALDH1A1
SCHEMBL2056920 0.86 FPR2 (0.41) HCRTR1HCRTR2FPR2KCNA5ALDH1A1
SCHEMBL2636011 0.84 HCRTR1 (0.44) HCRTR1HCRTR2FPR2RIPK1MAPK13
SCHEMBL2056740 0.84 HCRTR1 (0.48) HCRTR1HCRTR2FPR2
SCHEMBL2056704 0.81 S1PR1 (0.33) HCRTR1HCRTR2
SCHEMBL2057263 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3344320 0.80 HCRTR1 (0.47) HCRTR1HCRTR2FPR2MAPK13MAPK12
SCHEMBL3344316 0.75 HCRTR1 (0.46) HCRTR1HCRTR2FPR2MAPK13MAPK12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
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-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885FPR2 271/4885

“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.