SCHEMBL3738147

SCHEMBL3738147

Cc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)cc2)ccc1F

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.80
MAOB P27338 1/20 0.64
MAPT P10636 1/20 0.49
TNFRSF1A P19438 1/20 0.49

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
SCHEMBL3738150 0.92 PTGS2 (0.71) PTGS2MAOBMAPTTNFRSF1A
SCHEMBL7089415 0.84 PTGS2 (0.56) PTGS2MAOB
SCHEMBL3970039 0.83 MAOB (0.62) PTGS2MAOB
SCHEMBL3970038 0.83 MAOB (0.62) PTGS2MAOB
SCHEMBL3732308 0.81 CYP1A1 (0.68) PTGS2MAOB
SCHEMBL4441671 0.79 PTGS2 (0.51) PTGS2MAOBMAPTTNFRSF1A
SCHEMBL3735482 0.79 PTGS2 (0.51) PTGS2MAOBMAPTTNFRSF1A
SCHEMBL11815082 0.79 MAOB (1.00) PTGS2MAOB
SCHEMBL11815086 0.79 MAOB (1.00) PTGS2MAOB
SCHEMBL3737989 0.77 CYP1A1 (0.54) PTGS2MAOBMAPTTNFRSF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 PTGS2 3118/4885MAOB 716/4885MAPT 2958/4885

“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.