SCHEMBL4069895

SCHEMBL4069895

CCCCCCCS(=O)(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.52
FAAH O00519 5/20 0.46
CES1 P23141 5/20 0.43
CES2 O00748 2/20 0.43
TSHR P16473 1/20 0.37

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
SCHEMBL11821915 1.00 CA2 (0.52) CA2FAAHCES1CES2TSHR
SCHEMBL4081467 1.00 CA2 (0.52) CA2FAAHCES1CES2TSHR
SCHEMBL3239067 1.00 CA2 (0.52) CA2FAAHCES1CES2TSHR
SCHEMBL4073173 0.98 CA2 (0.48) CA2FAAHCES1CES2TSHR
SCHEMBL4073621 0.91 CA2 (0.40) CA2FAAHCES1CES2TSHR
SCHEMBL4006475 0.81
SCHEMBL28140282 0.81 CA2 (0.50) CA2FAAHCES1CES2TSHR
SCHEMBL28141077 0.81 CA2 (0.50) CA2FAAHCES1CES2TSHR
SCHEMBL28140302 0.81 CA2 (0.50) CA2FAAHCES1CES2TSHR
Propane SCHEMBL8719519 0.79 NLRP3 (0.37) TSHR

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
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 CA2 4544/4885FAAH 666/4885CES1 53/4885

“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.