SCHEMBL6404778

SCHEMBL6404778

CC(C)CC(CSCc1ccc2sccc2c1)=NO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
PDE10A Q9Y233 1/20 0.34
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CTNNB1 P35222 2/20 0.30
WNT3A P56704 2/20 0.30
SLC5A2 P31639 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 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
SCHEMBL6404629 0.82 CYP2A6 (0.43) CYP2A6PDE10AMEN1KMT2APTPRC
SCHEMBL6401548 0.77 CYP2A6 (0.45) CYP2A6PDE10AMEN1KMT2APTPRC
SCHEMBL6406961 0.73 CYP2A6 (0.46) CYP2A6PDE10ASIGMAR1PTPRCPTPN6
SCHEMBL6610892 0.71 CYP2A6 (0.41) CYP2A6PDE10ASIGMAR1MEN1KMT2A
SCHEMBL8186959 0.69 CYP2A6 (0.59) CYP2A6PDE10ASIGMAR1MEN1KMT2A
SCHEMBL6406160 0.69 CYP2A6 (0.37) CYP2A6PDE10APTPRCPTPN6PTPN11
SCHEMBL3816398 0.67 CYP2A6 (0.56) CYP2A6PDE10ASIGMAR1PTPRCPTPN6
SCHEMBL6398236 0.66 CYP2A6 (0.51) CYP2A6PDE10ASIGMAR1MEN1KMT2A
SCHEMBL6608998 0.66 CYP2A6 (0.41) CYP2A6SIGMAR1MEN1KMT2APTPRC
SCHEMBL6605866 0.66 ALDH1A1 (0.57) CYP2A6MEN1KMT2ACTNNB1WNT3A

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 disclosed
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 486/4885PDE10A 4559/4885SIGMAR1 914/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885PDE10A 4613/4885SIGMAR1 809/4885

“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.