SCHEMBL2487543

SCHEMBL2487543

COCCS(=O)(=O)CC#N

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
CA2 P00918 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
SCHEMBL4070183 0.88 CA2 (0.42) NLRP3CA2
SCHEMBL2485430 0.87 NLRP3 (0.32) NLRP3
SCHEMBL4082522 0.78 NLRP3 (0.32) NLRP3
SCHEMBL973094 0.77 USP2 (0.39) CA2
SCHEMBL2489444 0.77 NLRP3 (0.31) NLRP3
SCHEMBL4070923 0.75 ALDH1A1 (0.32) NLRP3
SCHEMBL4006475 0.73
SCHEMBL247430 0.72
Propane SCHEMBL8719519 0.71 NLRP3 (0.37) NLRP3
SCHEMBL4073653 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376445-B1 SULFURE-CONTAINING COMPOUND AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL CO (JP) 2013-05-29 EP disclosed
EP-2376445-B1 SULFURE-CONTAINING COMPOUND AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL CO (JP) 2013-05-29 EP disclosed
US-20120184613-A1 SULFUR-CONTAINING COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
EP-2376445-A2 SULFURE-CONTAINING COMPOUND AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
WO-2010074332-A2 SULFUR-CONTAINING COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
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 (2 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-20120184613-A1 SULFUR-CONTAINING COMPOUND AND USE THEREOF C5, C1S, CYC1 NLRP3 3432/4885CA2 1461/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 NLRP3 2525/4885CA2 4544/4885

“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.