SCHEMBL2056852

SCHEMBL2056852

Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCSC2C(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.41
HCRTR2 O43614 12/20 0.41
PTGS2 P35354 2/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 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
SCHEMBL2635804 0.91 HCRTR1 (0.48) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2056850 0.84 HCRTR1 (0.40) HCRTR1HCRTR2PTGS2
SCHEMBL2056988 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2056940 0.82 HCRTR1 (0.40) HCRTR1HCRTR2RAB9ASMN1; SMN2
SCHEMBL2056910 0.81 HCRTR1 (0.44) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL2056966 0.81 HCRTR1 (0.43) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL3348271 0.80 HCRTR1 (0.40) HCRTR1HCRTR2PTGS2
SCHEMBL3415462 0.77 HCRTR1 (0.40) HCRTR1HCRTR2PTGS2
SCHEMBL4761846 0.76 PTGS2 (0.54) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL2056960 0.75 HCRTR1 (0.47) HCRTR1HCRTR2PTGS2

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 1/4885PTGS2 2541/4885

“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.