SCHEMBL2745762

SCHEMBL2745762

COc1cc(CS(C)(=O)=NC#N)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.46
CDK9 P50750 14/20 0.46
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP17A1 P05093 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
SCHEMBL14103878 0.85 CDK2 (0.43) CDK2CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL2746172 0.84 ALDH1A1 (0.38) CDK2CDK9ALDH1A1POLB
SCHEMBL14997369 0.82 CDK2 (0.43) CDK2CDK9
SCHEMBL2746452 0.82 CYP11B1 (0.37) CDK2CDK9ALDH1A1
SCHEMBL14205741 0.82 CDK2 (0.37) CDK2CDK9ALDH1A1CHRNB2CHRNA4
SCHEMBL3285457 0.82 CDK2 (0.43) CDK2CDK9
SCHEMBL14206020 0.78 CDK9 (0.40) CDK2CDK9ALDH1A1CYP1A2CYP2C19
SCHEMBL13899228 0.78 VCAM1 (0.35) CDK2CDK9NPC1RAB9A
SCHEMBL13899231 0.75 CDK2 (0.41) CDK2CDK9ALDH1A1NPC1RAB9A
SCHEMBL121954 0.74 ALDH1A1 (0.43) CDK2CDK9ALDH1A1CHRNB2CHRNA4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079697-B1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2013-06-05 EP disclosed
US-8178565-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2012-05-15 US disclosed
US-8178565-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2012-05-15 US disclosed
US-8178565-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2012-05-15 US disclosed
US-20100179197-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2010-07-15 US disclosed
US-20100179197-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2010-07-15 US disclosed
US-20100179197-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2010-07-15 US disclosed
US-7709649-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2010-05-04 US disclosed
US-7709649-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2010-05-04 US disclosed
US-7709649-B2 Multi-substituted pyridyl sulfoximines and their use as insecticides DOW AGROSCIENCES LLC (US) 2010-05-04 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
US-7511149-B2 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines DOW AGROSCIENCES LLC (US) 2009-03-31 US 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
WO-2008097235-A1 PROCESS FOR THE OXIDATION OF CERTAIN SUBSTITUTED SULFILIMINES TO INSECTICIDAL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2008-08-14 WO disclosed
WO-2008057129-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
WO-2008057129-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 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 (3 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-20100179197-A1 MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES PIR, PNPO, PRDX4 CDK2 2547/4885CDK9 3431/4885ALDH1A1 1807/4885
US-20080194634-A1 Process for the oxidation of certain substituted sulfilimines to insecticidal sulfoximines SMOX, TST, SPR CDK2 4415/4885CDK9 3645/4885ALDH1A1 1696/4885
US-20080108667-A1 Multi-substituted pyridyl sulfoximines and their use as insecticides PIR, PNPO, PRDX4 CDK2 2547/4885CDK9 3431/4885ALDH1A1 1807/4885

“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.