SCHEMBL6399574

SCHEMBL6399574

Cc1ccsc1C(CS(=O)(=O)Cc1ccc2sccc2c1)N(O)C=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.35
ALOX5 P09917 1/20 0.32
BRD4 O60885 1/20 0.32
CA12 O43570 3/20 0.31
CA2 P00918 3/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
TPSAB1 Q15661 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL6399565 1.00 CYP2A6 (0.35) CYP2A6ALOX5BRD4CA12CA2
SCHEMBL6400319 0.83 MMP2 (0.39) CYP2A6CA12CA2PER2CRY1
SCHEMBL6399715 0.83 MMP2 (0.39) CYP2A6CA12CA2PER2CRY1
SCHEMBL6608264 0.83 CYP2A6 (0.40) CYP2A6CA12CA2OPRM1OPRK1
SCHEMBL6608267 0.83 CYP2A6 (0.40) CYP2A6CA12CA2OPRM1OPRK1
SCHEMBL6406600 0.82 FAAH (0.34) ALOX5MMP2MMP13
SCHEMBL6406606 0.82 FAAH (0.34) ALOX5MMP2MMP13
SCHEMBL6405873 0.82 HTR2C (0.34) CYP2A6PER2CRY1CRY2
SCHEMBL6399797 0.82 HTR2C (0.34) CYP2A6PER2CRY1CRY2
SCHEMBL6400972 0.82 CA12 (0.35) CYP2A6CA12CA2OPRM1MMP2

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-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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP 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 (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 486/4885ALOX5 2066/4885BRD4 1865/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885ALOX5 2470/4885BRD4 2004/4885

“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.