SCHEMBL6399546

SCHEMBL6399546

COC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)N(O)C=O.COC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6399844 0.93 MMP2 (0.40) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6399841 0.93 MMP2 (0.40) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6755588 0.90 HPGD (0.38) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6608597 0.89 KMT2A (0.41) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6608596 0.89 KMT2A (0.41) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6401254 0.87 CYP1A2 (0.35) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6399544 0.86 HIF1A (0.35) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6401571 0.85 MMP2 (0.39) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6399837 0.85 MMP2 (0.35) MMP2MMP9KDM4EKMT2ASMN1; SMN2
SCHEMBL6403845 0.84 HPGD (0.43) MMP2MMP9KDM4EKMT2ASMN1; SMN2

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 2 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

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 3613/4885KDM4E 4488/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP9 3775/4885KDM4E 4541/4885

“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.