SCHEMBL6400650

SCHEMBL6400650

COc1ccc([C@H](CO)SCc2cnc3ccsc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
KDR P35968 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
EPHX1 P07099 1/20 0.33
ABCB11 O95342 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32

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
SCHEMBL6400707 0.85 DYRK3 (0.31) MAPTMEN1KMT2A
SCHEMBL6400354 0.83 ABCB11 (0.34) ADORA2AL3MBTL1LMNAMAPTMAPK1
SCHEMBL6982024 0.81 FAAH (0.44) MAPK1TSHRPDGFRBPDGFRANPC1
SCHEMBL6403012 0.81 FAAH (0.44) MAPK1TSHRPDGFRBPDGFRANPC1
SCHEMBL6400042 0.80 ADORA2A (0.36) ADORA2AL3MBTL1LMNAMAPTMAPK1
SCHEMBL10647379 0.69 HPGDS (0.38) MAPTPDGFRBPDGFRANPC1RAB9A
SCHEMBL6398144 0.67 MMP2 (0.34) ADORA2AGPR139NPC1RAB9AMEN1
SCHEMBL6398186 0.67 MMP2 (0.34) ADORA2AGPR139NPC1RAB9AMEN1
SCHEMBL6400598 0.67 ABCB1 (0.34) L3MBTL1MAPTCYP2C9KDRNPC1
SCHEMBL7207990 0.66 ABCB11 (0.47) L3MBTL1MAPK1CYP2C9TSHRABCB11

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 ADORA2A 3266/4885L3MBTL1 2205/4885LMNA 2988/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ADORA2A 3146/4885L3MBTL1 2119/4885LMNA 3270/4885

“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.