SCHEMBL6400707

SCHEMBL6400707

OC[C@H](SCc1cnc2ccsc2c1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.31
CLK1 P49759 2/20 0.31
CLK2 P49760 2/20 0.31
CLK3 P49761 2/20 0.31
GSK3B P49841 2/20 0.31
DYRK2 Q92630 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
DYRK4 Q9NR20 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
CSNK1E P49674 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCB1 P08183 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
MAP4K1 Q92918 1/20 0.31
MPO P05164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6400650 0.85 ADORA2A (0.35) MEN1KMT2AMAPT
SCHEMBL6405033 0.81 MASP2 (0.36) MEN1KMT2AMPOMAPT
SCHEMBL6399537 0.81 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL6983641 0.81 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL6404188 0.78 NPC1 (0.34) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL6605559 0.71 KDM4E (0.37) DYRK1AABCB1IRAK4MAPT
SCHEMBL10997002 0.69 CYP2C9 (0.45) CLK2GSK3BCLK4CDK5DYRK1A
SCHEMBL6982024 0.69 FAAH (0.44) MEN1KMT2A
SCHEMBL6403012 0.69 FAAH (0.44) MEN1KMT2A
SCHEMBL6400598 0.68 ABCB1 (0.34) MEN1KMT2AABCB1MAPT

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 DYRK3 2261/4885CLK1 4274/4885CLK2 4352/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 DYRK3 3172/4885CLK1 4248/4885CLK2 4389/4885

“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.