SCHEMBL4068413

SCHEMBL4068413

O=Cc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.45
PIK3CA P42336 3/20 0.41
CA2 P00918 3/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
COMT P21964 1/20 0.36
GLO1 Q04760 1/20 0.35
CA12 O43570 2/20 0.35
MMP2 P08253 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1598789 0.85 NFE2L2 (0.52) NFE2L2COMTGLO1
SCHEMBL4014078 0.81 HTR2A (0.51) NFE2L2COMT
SCHEMBL4014072 0.81 HTR2A (0.51) NFE2L2COMT
SCHEMBL4067400 0.81 NFE2L2 (0.35) NFE2L2PIK3CACOMTKDM4E
SCHEMBL4067398 0.81 NFE2L2 (0.35) NFE2L2PIK3CACOMTKDM4E
SCHEMBL4067402 0.81 NFE2L2 (0.35) NFE2L2PIK3CACOMTKDM4E
SCHEMBL4070632 0.80 MMP1 (0.43) CA2CA1CA9CA12MMP2
SCHEMBL4072070 0.80 MEN1 (0.57) NFE2L2PIK3CA
SCHEMBL4074964 0.79 NFE2L2 (0.34) NFE2L2PIK3CACOMTKDM4E
SCHEMBL4484230 0.78 HTR2A (0.44) NFE2L2PIK3CACOMTMMP2KDM4E

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-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
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 WO 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 4160/4885CA2 4619/4885

“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.