SCHEMBL2056926

SCHEMBL2056926

Cc1ccc(-c2scnc2C(=O)N2CCSC2CN)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
KCNA5 P22460 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
VHL P40337 1/20 0.30
ELOC Q15369 1/20 0.30
ELOB Q15370 1/20 0.30

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
SCHEMBL2056956 0.85 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2057025 0.83 CYP1A2 (0.41) HCRTR1HCRTR2KCNA5VHLELOC
SCHEMBL2636407 0.82 KCNA5 (0.39) HCRTR1HCRTR2KCNA5VHL
SCHEMBL2057133 0.80 CYP1A2 (0.38) HCRTR1HCRTR2
SCHEMBL2635333 0.77 HCRTR2 (0.49) HCRTR1HCRTR2
SCHEMBL2056677 0.77 CYP1A2 (0.54) HCRTR1HCRTR2
SCHEMBL2056704 0.73 S1PR1 (0.33) HCRTR1HCRTR2S1PR1S1PR3
SCHEMBL2057379 0.71 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2056952 0.70 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2056953 0.69 KCNA5 (0.39) HCRTR1HCRTR2KCNA5

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 2 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 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 1/4885KCNA5 1430/4885

“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.