SCHEMBL13899231

SCHEMBL13899231

COc1ccc(CS(C)(=O)=NC#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.41
CDK9 P50750 9/20 0.41
TAS2R14 Q9NYV8 1/20 0.37
NAAA Q02083 1/20 0.37
ACACB O00763 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 2/20 0.36
S1PR2 O95136 2/20 0.36
S1PR4 O95977 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
S1PR1 P21453 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR9 Q9NR96 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9610888 0.81 CDK2 (0.39) CDK2CDK9NAMPTTSHR
SCHEMBL121954 0.80 ALDH1A1 (0.43) CDK2CDK9ALDH1A1MAPTKMT2A
SCHEMBL18231808 0.80 CDK2 (0.36) CDK2CDK9
SCHEMBL2153112 0.78 CDK2 (0.36) CDK2CDK9ALDH1A1
SCHEMBL28597113 0.77 TAS2R14 (0.44) TAS2R14NAMPTNPC1S1PR2S1PR4
SCHEMBL119494 0.77 CDK2 (0.39) CDK2CDK9NAMPT
SCHEMBL2153234 0.77 CDK2 (0.36) CDK2CDK9
SCHEMBL9610902 0.76 CDK2 (0.37) CDK2CDK9LMNANPSR1HTT
SCHEMBL2745762 0.75 CDK2 (0.46) CDK2CDK9NPC1ALDH1A1RAB9A
SCHEMBL14103878 0.75 CDK2 (0.43) CDK2CDK9ALDH1A1

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
US-7511149-B2 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines DOW AGROSCIENCES LLC (US) 2009-03-31 US disclosed
US-7511149-B2 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines DOW AGROSCIENCES LLC (US) 2009-03-31 US disclosed
WO-2008097235-A1 PROCESS FOR THE OXIDATION OF CERTAIN SUBSTITUTED SULFILIMINES TO INSECTICIDAL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2008-08-14 WO disclosed
US-20080194634-A1 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines CORTEVA AGRISCIENCE LLC 2008-08-14 US disclosed
US-20080194634-A1 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines CORTEVA AGRISCIENCE LLC 2008-08-14 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-20080194634-A1 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines SMOX, TST, SPR CDK2 4415/4885CDK9 3645/4885TAS2R14 2451/4885

“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.