SCHEMBL2056855

SCHEMBL2056855

NCC1SCCN1C(=O)c1ncsc1-c1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THPO P40225 1/20 0.36
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
HCRTR1 O43613 10/20 0.35
HCRTR2 O43614 10/20 0.35
WNT1 P04628 3/20 0.33
DYRK1A Q13627 3/20 0.33
CFD P00746 1/20 0.33
GRIN2B Q13224 1/20 0.33
CNR2 P34972 1/20 0.32
CHRM3 P20309 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL2056926 0.85 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL2056677 0.82 CYP1A2 (0.54) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2057133 0.81 CYP1A2 (0.38) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2057025 0.78 CYP1A2 (0.41) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2636054 0.78 HCRTR1 (0.49) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2635333 0.78 HCRTR2 (0.49) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2635818 0.75 HCRTR1 (0.45) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2636407 0.74 KCNA5 (0.39) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2635082 0.73 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL13398609 0.72 KDM4E (0.55) CYP1A2CYP3A4THPOLMNAPMP22

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 CYP1A2 1036/4885CYP3A4 976/4885THPO 486/4885

“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.