SCHEMBL6402224

SCHEMBL6402224

CC(C)CCC(N(O)C=O)S(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP13 P45452 1/20 0.43
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RAB9A P51151 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL6399019 0.90 MMP2 (0.42) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6401583 0.90 RAB9A (0.40) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6406031 0.88 MEN1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6606374 0.88 KDM4E (0.37) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6399848 0.87 KDM4E (0.41) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6988576 0.80 KDM4E (0.41) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6398835 0.79 HDAC3 (0.33) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6988861 0.79 MMP2 (0.38) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6988858 0.79 MMP2 (0.38) MMP2MMP13HDAC3HDAC4HDAC1
SCHEMBL6608485 0.79 MMP2 (0.48) MMP2MMP13HDAC3HDAC4HDAC1

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 claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
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 MMP2 2931/4885MMP13 469/4885HDAC3 573/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP13 559/4885HDAC3 630/4885

“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.