SCHEMBL6401567

SCHEMBL6401567

CC(C)C[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NON(C=O)[C@@H](CC(C)C)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALPL P05186 2/20 0.33
MMP13 P45452 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL6400329 0.87 CYP1A2 (0.35) PDE10ACYP1A2HIF1AEPAS1ALPL
SCHEMBL6400981 0.86 HPGD (0.36) PDE10AMMP2CYP1A2HIF1AEPAS1
SCHEMBL6399544 0.86 HIF1A (0.35) PDE10ACYP1A2HIF1AEPAS1ALPL
SCHEMBL6399831 0.86 CYP1A2 (0.34) PDE10AMMP2CYP1A2HIF1AEPAS1
SCHEMBL6606815 0.84 PDE10A (0.36) PDE10AMMP2MMP9MMP8CYP1A2
SCHEMBL6401571 0.83 MMP2 (0.39) PDE10AMMP2MMP9MMP8CYP1A2
SCHEMBL6402216 0.82 MMP2 (0.39) PDE10AMMP2MMP9MMP8CYP1A2
SCHEMBL6402218 0.82 MMP2 (0.39) PDE10AMMP2MMP9MMP8CYP1A2
SCHEMBL6397522 0.79 CYP1A2 (0.35) PDE10AMMP2CYP1A2HIF1AEPAS1
SCHEMBL6608483 0.79 MMP2 (0.45) PDE10AMMP2MMP9MMP8CYP1A2

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 4 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
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 PDE10A 4559/4885MMP2 2931/4885MMP9 3613/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 PDE10A 4613/4885MMP2 2846/4885MMP9 3775/4885

“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.