SCHEMBL2489116

SCHEMBL2489116

COC(C)(C)CS(=O)(=O)CC#N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21742580 0.78 NLRP3 (0.32)
SCHEMBL1956978 0.71
SCHEMBL19660811 0.69
SCHEMBL4073653 0.68
SCHEMBL2051138 0.66
SCHEMBL6555420 0.66 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL2487543 0.65 NLRP3 (0.34)
Fluoride SCHEMBL28143708 0.64
Hydrochloric Acid SCHEMBL28143788 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL17902644 0.64

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 5 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

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-20120184613-A1 SULFUR-CONTAINING COMPOUND AND USE THEREOF C5, C1S, CYC1 ALDH1A1 1580/4885TSHR 974/4885TDP1 4805/4885

“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.