SCHEMBL2056858

SCHEMBL2056858

NC(=O)C1SCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.42
HCRTR2 O43614 19/20 0.42
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL2056652 0.86 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1GAAGFER
SCHEMBL2635417 0.84 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2056674 0.81 CYP1A2 (0.49) HCRTR1HCRTR2
SCHEMBL982439 0.77 PIN1 (0.49) HCRTR1HCRTR2ALDH1A1GAAGFER
SCHEMBL27814876 0.77 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1GAAGFER
SCHEMBL2636064 0.77 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2056738 0.76 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2127162 0.76 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1GAAGFER
SCHEMBL2127165 0.76 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1GAAGFER
SCHEMBL2634914 0.75 HCRTR1 (0.55) 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 1/4885ALDH1A1 690/4885

“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.