SCHEMBL6399798

SCHEMBL6399798

COC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
PDE10A Q9Y233 9/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CNR2 P34972 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
SCHEMBL6606605 0.91 HPGD (0.38) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6607311 0.90 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6606815 0.89 PDE10A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399028 0.89 HIF1A (0.35) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399841 0.85 MMP2 (0.40) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399844 0.85 MMP2 (0.40) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399544 0.84 HIF1A (0.35) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6077244 0.84 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6662759 0.84 HIF1A (0.36) HIF1AEPAS1PDE10ACYP1A2KDM4E
SCHEMBL6399015 0.83 KDM4E (0.34) HIF1AEPAS1PDE10AKDM4EKMT2A

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 HIF1A 2197/4885EPAS1 3441/4885PDE10A 4559/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 HIF1A 1403/4885EPAS1 3094/4885PDE10A 4613/4885

“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.