SCHEMBL2056914

SCHEMBL2056914

Cc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)N2CCSC2CN)s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.46
HCRTR2 O43614 8/20 0.46
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORB Q92753 6/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL2056910 0.86 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1SMN1; SMN2RORB
SCHEMBL2056870 0.86 HCRTR1 (0.40) HCRTR1HCRTR2RORBKMT2A
SCHEMBL2056724 0.85 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2056850 0.82 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2056960 0.81 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL27834596 0.76 RORB (0.44) HCRTR1HCRTR2ALDH1A1SMN1; SMN2RORB
SCHEMBL2057119 0.76 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398676 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RORBMAPTMEN1
SCHEMBL2057186 0.72 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3067509 0.72 HCRTR1 (0.47) 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 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 1/4885ALDH1A1 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.