SCHEMBL6404846

SCHEMBL6404846

O=CN(O)C(CS(=O)(=O)Cc1ccc2sccc2c1)c1cccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
CYP2A6 P11509 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
OPRL1 P41146 3/20 0.31
TPSAB1 Q15661 1/20 0.31
KCNH2 Q12809 1/20 0.30
MCHR2 Q969V1 1/20 0.30
MCHR1 Q99705 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 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
SCHEMBL6404841 1.00 OPRM1 (0.34) OPRM1CYP2A6MMP2MMP9OPRL1
SCHEMBL6400860 0.89 CYP2A6 (0.34) CYP2A6MMP2MMP9TPSAB1MRGPRX4
SCHEMBL6400863 0.89 CYP2A6 (0.34) CYP2A6MMP2MMP9TPSAB1MRGPRX4
SCHEMBL6400972 0.89 CA12 (0.35) OPRM1CYP2A6MMP2MMP9TPSAB1
SCHEMBL6401597 0.89 CA12 (0.35) OPRM1CYP2A6MMP2MMP9TPSAB1
SCHEMBL6399715 0.89 MMP2 (0.39) CYP2A6MMP2MMP9TPSAB1MRGPRX4
SCHEMBL6400319 0.89 MMP2 (0.39) CYP2A6MMP2MMP9TPSAB1MRGPRX4
SCHEMBL6429205 0.86 CA12 (0.34) CYP2A6MMP2MMP9MRGPRX4CA12
SCHEMBL6429202 0.86 CA12 (0.34) CYP2A6MMP2MMP9MRGPRX4CA12
SCHEMBL6400486 0.85 CYP2A6 (0.33) CYP2A6KCNH2MCHR2MCHR1CA12

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 OPRM1 1274/4885CYP2A6 486/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 OPRM1 1172/4885CYP2A6 459/4885MMP2 2846/4885

“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.