SCHEMBL17038486

SCHEMBL17038486

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.36
CTSS P25774 5/20 0.36
CTSL P07711 2/20 0.36
NLRP3 Q96P20 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.30
CTSF Q9UBX1 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
SCHEMBL19197735 0.76 NLRP3 (0.50) CTSBCTSSCTSLNLRP3
SCHEMBL4073653 0.74
SCHEMBL775476 0.74 GRIA1 (0.33) CTSBCTSSCTSL
SCHEMBL8654716 0.74 GRIA1 (0.33) CTSBCTSSCTSL
SCHEMBL4077861 0.73 NLRP3 (0.32) NLRP3CYP1A2MAPK1
SCHEMBL2051138 0.73
Phosphine SCHEMBL27495502 0.72 GRIA1 (0.32) CTSBCTSSCTSL
Hydrochloric Acid SCHEMBL28143788 0.70 ALDH1A1 (0.37) NLRP3
Fluoride SCHEMBL28143708 0.70
SCHEMBL21742580 0.70 NLRP3 (0.32) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908846-B2 Composition, synthesis, and use of new arylsulfonyl isonitriles DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-03-06 US disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 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-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 CTSB 3897/4885CTSS 1417/4885CTSL 4333/4885

“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.