SCHEMBL6400486

SCHEMBL6400486

O=CN(O)C(CS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR2 Q969V1 1/20 0.32
MCHR1 Q99705 1/20 0.32
GPR139 Q6DWJ6 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
SCHEMBL6400479 1.00 CYP2A6 (0.33) CYP2A6CA12CA2KCNH2MCHR2
SCHEMBL6400972 0.87 CA12 (0.35) CYP2A6CA12CA2KCNH2MCHR2
SCHEMBL6401597 0.87 CA12 (0.35) CYP2A6CA12CA2KCNH2MCHR2
SCHEMBL6404846 0.85 OPRM1 (0.34) CYP2A6CA12CA2KCNH2MCHR2
SCHEMBL6404841 0.85 OPRM1 (0.34) CYP2A6CA12CA2KCNH2MCHR2
SCHEMBL6400319 0.81 MMP2 (0.39) CYP2A6CA12CA2
SCHEMBL6399715 0.81 MMP2 (0.39) CYP2A6CA12CA2
SCHEMBL6399565 0.79 CYP2A6 (0.35) CYP2A6CA12CA2
SCHEMBL6399574 0.79 CYP2A6 (0.35) CYP2A6CA12CA2
SCHEMBL6399551 0.78 CYP2A6 (0.34) CYP2A6

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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CYP2A6 486/4885CA12 158/4885CA2 1247/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885CA12 132/4885CA2 1162/4885

“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.