SCHEMBL6399015

SCHEMBL6399015

COC[C@@H](CSCc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PDE10A Q9Y233 9/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SCN9A Q15858 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
SCHEMBL6605020 0.90 PDE10A (0.33) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6608790 0.90 PDE10A (0.34) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6608514 0.88 PDE10A (0.37) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6400676 0.88 PDE10A (0.34) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6078553 0.83 PDE10A (0.35) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6661883 0.83 PDE10A (0.35) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6399798 0.83 HIF1A (0.37) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6979519 0.81 PDE10A (0.34) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6985833 0.81 PDE10A (0.34) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6989991 0.80 HDAC4 (0.34) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1

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 KDM4E 4488/4885KMT2A 2661/4885SMN1; SMN2 2080/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 KDM4E 4541/4885KMT2A 2906/4885SMN1; SMN2 1877/4885

“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.