SCHEMBL2056956

SCHEMBL2056956

Cc1nc(C(=O)N2CCSC2CN)c(-c2ccc(C)c(F)c2F)s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.38
HCRTR2 O43614 17/20 0.38
TSPO P30536 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
RORC P51449 1/20 0.35

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
SCHEMBL2057379 0.85 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2056926 0.85 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL2056952 0.85 HCRTR1 (0.39) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2056955 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2057019 0.82 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2057263 0.81 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2057186 0.79 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2057119 0.78 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2057239 0.78 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2056833 0.76 HCRTR1 (0.57) HCRTR1HCRTR2

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-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
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 1/4885TSPO 361/4885

“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.