SCHEMBL6405056

SCHEMBL6405056

COc1ccc([C@H](O)CSCc2cnc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
IGF1R P08069 1/20 0.40
PDE10A Q9Y233 7/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ALPL P05186 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6400559 0.87 MEN1 (0.41) FAAHMAPK1PDGFRBPDGFRARAB9A
SCHEMBL6400585 0.83 TRPM8 (0.38) FAAHTRPM8IGF1RPDE10AALPL
SCHEMBL6400042 0.81 ADORA2A (0.36) GAATSHRMAPK1PDGFRBPDGFRA
SCHEMBL6398852 0.80 AOC3 (0.35) GAATSHRMAPK1PDGFRBPDGFRA
SCHEMBL6982024 0.80 FAAH (0.44) FAAHTRPM8GAATSHRMAPK1
SCHEMBL6403012 0.80 FAAH (0.44) FAAHTRPM8GAATSHRMAPK1
SCHEMBL6605583 0.78 TRPM8 (0.40) FAAHTRPM8IGF1RALPLLMNA
SCHEMBL827707 0.77 AOC3 (0.50) GAAALDH1A1
SCHEMBL6404037 0.77 MMP9 (0.41) PDE10APDGFRBPDGFRAALDH1A1
SCHEMBL6985323 0.77 CYP1A2 (0.41) PDE10APDGFRBPDGFRASMN1; SMN2RAB9A

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 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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 FAAH 1307/4885TRPM8 1841/4885GAA 4211/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 FAAH 1212/4885TRPM8 2532/4885GAA 4041/4885

“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.