Dimethyl Sulfone

Dimethyl Sulfone

SCHEMBL17258778

CS(C)(=O)=O.Cc1cnc(N)c(C#N)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.46
NOS2 P35228 2/20 0.46
NOS1 P29475 1/20 0.46
KDM4E B2RXH2 7/20 0.38
POLB P06746 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SGK1 O00141 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL31695297 0.91 NOS3 (0.54) NOS3NOS2NOS1KDM4EHSD17B10
SCHEMBL625135 0.91 NOS3 (0.54) NOS3NOS2NOS1KDM4EHSD17B10
(Phenylsulfonyl)Benzene SCHEMBL17259054 0.84 KDM4E (0.50) NOS3NOS2NOS1KDM4EPOLB
SCHEMBL22561920 0.81 KMT2A (0.35) KDM4EHTTCYP11B1CYP11B2ALDH1A1
SCHEMBL21048809 0.73 GAA (0.33) KDM4EHTTCYP11B1CYP11B2ALDH1A1
SCHEMBL1626886 0.72 PTK2 (0.37) KDM4EHTTALDH1A1GAA
SCHEMBL4877753 0.72 NOS3 (0.54) NOS3NOS2NOS1KDM4EHTT
SCHEMBL7898980 0.71 HTT (0.44) KDM4EHSD17B10CSNK1A1CLK4HTT
SCHEMBL7215518 0.71 CHRNB2 (0.42) NOS3NOS2NOS1KDM4ECYP11B1
SCHEMBL24576774 0.71 NOS3 (0.52) NOS3NOS2NOS1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN NOS3 977/4885NOS2 2411/4885NOS1 2328/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 NOS3 1227/4885NOS2 2778/4885NOS1 2995/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 NOS3 1227/4885NOS2 2778/4885NOS1 2995/4885

“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.