SCHEMBL6399019

SCHEMBL6399019

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.38
CCR1 P32246 2/20 0.38
CYP1A2 P05177 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 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
SCHEMBL6402224 0.90 MMP2 (0.43) MMP2MMP9MMP8MMP13PTGES
SCHEMBL6401583 0.87 RAB9A (0.40) MMP2MMP13PTGESALOX5RAB9A
SCHEMBL6406031 0.85 MEN1 (0.41) PTGESALOX5RAB9AKMT2AHDAC3
SCHEMBL6606374 0.84 KDM4E (0.37) MMP2MMP13PTGESALOX5RAB9A
SCHEMBL6399848 0.84 KDM4E (0.41) MMP2MMP13PTGESALOX5RAB9A
SCHEMBL6402218 0.83 MMP2 (0.39) MMP2MMP9MMP8MMP13PTGES
SCHEMBL6402216 0.83 MMP2 (0.39) MMP2MMP9MMP8MMP13PTGES
SCHEMBL6988576 0.81 KDM4E (0.41) MMP2MMP13PTGESALOX5RAB9A
SCHEMBL6981602 0.79 CYP1A2 (0.38) MMP2MMP13PTGESALOX5RAB9A
SCHEMBL6990090 0.78 PDE10A (0.37) MMP2MMP9MMP8MMP13PTGES

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 6 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
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 MMP2 2931/4885MMP9 3613/4885MMP8 2573/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP9 3775/4885MMP8 2510/4885

“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.