SCHEMBL6400042

SCHEMBL6400042

COc1ccc([C@H](O)CSCc2cnc3ccsc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
AOC3 Q16853 2/20 0.36
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6404188 0.85 NPC1 (0.34) ADORA2AMAPK1LMNAL3MBTL1GAA
SCHEMBL6398852 0.83 AOC3 (0.35) ADORA2AAOC3MAPK1MAPTLMNA
SCHEMBL6405056 0.81 FAAH (0.44) MAPK1LMNAPDGFRBPDGFRAGAA
SCHEMBL6400650 0.80 ADORA2A (0.35) ADORA2AMAPK1MAPTLMNAL3MBTL1
SCHEMBL6608416 0.78 PPARG (0.34) ADORA2AMAPTL3MBTL1GPR139GAA
SCHEMBL827707 0.76 AOC3 (0.50) AOC3MAPTGAAALDH1A1
SCHEMBL10994651 0.73 CYP17A1 (0.44) AOC3MAPTLMNAGAATSHR
SCHEMBL7207995 0.72 AOC3 (0.58) AOC3MAPK1MAPTL3MBTL1GAA
SCHEMBL826429 0.71 GAA (0.52) AOC3GAAMEN1KMT2A
SCHEMBL827397 0.70 EPHX1 (0.53) AOC3MAPTL3MBTL1GAA

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 ADORA2A 3266/4885AOC3 645/4885MAPK1 4524/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ADORA2A 3146/4885AOC3 654/4885MAPK1 4067/4885

“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.