SCHEMBL6399501

SCHEMBL6399501

CC(C)(C)CCC(N(O)C=O)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
CA12 O43570 4/20 0.32
CA2 P00918 4/20 0.32
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
TPSAB1 Q15661 1/20 0.31
PDE10A Q9Y233 1/20 0.30
BRD4 O60885 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
SCHEMBL6399308 0.87 MMP2 (0.42) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6608273 0.86 CYP2A6 (0.40) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6403070 0.84 MMP2 (0.38) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6405762 0.84 SIGMAR1 (0.36) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6399129 0.83 CTNNB1 (0.38) CYP2A6MMP2MMP13SIGMAR1CA12
SCHEMBL6399504 0.77 CYP2A6 (0.36) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6608049 0.77 CYP2A6 (0.36) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6608264 0.77 CYP2A6 (0.40) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6608267 0.77 CYP2A6 (0.40) CYP2A6OPRM1OPRK1MMP2MMP13
SCHEMBL6398835 0.76 HDAC3 (0.33) MMP2MMP13SIGMAR1PER2CRY1

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
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (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 486/4885OPRM1 1274/4885OPRK1 2464/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885OPRM1 1172/4885OPRK1 2061/4885

“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.