SCHEMBL4067402

SCHEMBL4067402

CC(C)(C)[S+]([O-])N=Cc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.35
PIK3CA P42336 3/20 0.35
COMT P21964 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACSS2 Q9NR19 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP2C9 P11712 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
SCHEMBL4067400 1.00 NFE2L2 (0.35) NFE2L2PIK3CACOMTMEN1POLB
SCHEMBL4067398 1.00 NFE2L2 (0.35) NFE2L2PIK3CACOMTMEN1POLB
SCHEMBL4074964 0.93 NFE2L2 (0.34) NFE2L2PIK3CACOMTMEN1POLB
SCHEMBL4068413 0.81 NFE2L2 (0.45) NFE2L2PIK3CACOMTKDM4E
SCHEMBL4078039 0.76 PTGDR2 (0.37) NFE2L2PIK3CACOMTMEN1KMT2A
SCHEMBL4067334 0.73 KDM4E (0.36) NFE2L2PIK3CACOMTMEN1POLB
SCHEMBL4067339 0.73 KDM4E (0.36) NFE2L2PIK3CACOMTMEN1POLB
SCHEMBL4073466 0.72 HTR2A (0.44) NFE2L2PIK3CACOMTPOLBKDM4E
SCHEMBL4484230 0.72 HTR2A (0.44) NFE2L2PIK3CACOMTPOLBKDM4E
SCHEMBL4071902 0.72 HTR2A (0.44) NFE2L2PIK3CACOMTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A NFE2L2 2686/4885PIK3CA 4160/4885COMT 493/4885

“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.