SCHEMBL6402948

SCHEMBL6402948

CC(C)(C)OC(=O)ON(C(=O)OC(C)(C)C)[C@H](CS(=O)(=O)Cc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
SCN9A Q15858 1/20 0.34
PAX8 Q06710 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
CFTR P13569 1/20 0.33
TRPM8 Q7Z2W7 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL6402952 1.00 ACP1 (0.35) ACP1HIF1AEPAS1PTGESALOX5
SCHEMBL6429732 1.00 ACP1 (0.35) ACP1HIF1AEPAS1PTGESALOX5
SCHEMBL6605211 0.93 TRPM8 (0.39) HIF1AEPAS1PTGESALOX5PAX8
SCHEMBL6431116 0.93 TRPM8 (0.39) HIF1AEPAS1PTGESALOX5PAX8
SCHEMBL6605219 0.93 TRPM8 (0.39) HIF1AEPAS1PTGESALOX5PAX8
SCHEMBL6429249 0.89 TRPM8 (0.37) HIF1AEPAS1PTGESALOX5HDAC4
SCHEMBL6403790 0.88 TRPM8 (0.36) HIF1AEPAS1PTGESALOX5TRPM8
SCHEMBL6403984 0.87 MMP13 (0.30)
SCHEMBL6399472 0.86 MASP2 (0.33)
SCHEMBL6609993 0.84 SCN9A (0.35) ACP1HIF1AEPAS1SCN9APAX8

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 ACP1 3952/4885HIF1A 2197/4885EPAS1 3441/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ACP1 3834/4885HIF1A 1403/4885EPAS1 3094/4885

“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.