SCHEMBL4082522

SCHEMBL4082522

CCOCCS(=O)(=O)CC#N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL4070923 0.96 ALDH1A1 (0.32) NLRP3ALDH1A1TSHR
SCHEMBL4070183 0.80 CA2 (0.42) NLRP3
SCHEMBL15529598 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL2487543 0.78 NLRP3 (0.34) NLRP3
SCHEMBL1161080 0.77 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4006475 0.75
SCHEMBL2489444 0.73 NLRP3 (0.31) NLRP3
SCHEMBL12410359 0.73 ALDH1A1 (0.36) ALDH1A1TSHR
Propane SCHEMBL8719519 0.73 NLRP3 (0.37) NLRP3ALDH1A1TSHR
SCHEMBL2051138 0.71

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 NLRP3 2525/4885ALDH1A1 66/4885TSHR 2048/4885

“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.