SCHEMBL6399544

SCHEMBL6399544

COC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NON(C=O)[C@@H](COC)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ALPL P05186 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
PDE10A Q9Y233 5/20 0.33
FAAH O00519 3/20 0.32
LMNA P02545 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
RAB9A P51151 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL6400981 0.90 HPGD (0.36) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6400329 0.87 CYP1A2 (0.35) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6399546 0.86 MMP2 (0.36) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6399831 0.86 CYP1A2 (0.34) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6401567 0.86 PDE10A (0.35) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6399798 0.84 HIF1A (0.37) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6399844 0.83 MMP2 (0.40) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6399841 0.83 MMP2 (0.40) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6608597 0.83 KMT2A (0.41) HIF1AEPAS1ALPLSMN1; SMN2KMT2A
SCHEMBL6608596 0.83 KMT2A (0.41) HIF1AEPAS1ALPLSMN1; SMN2KMT2A

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 HIF1A 2197/4885EPAS1 3441/4885ALPL 4655/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 HIF1A 1403/4885EPAS1 3094/4885ALPL 4654/4885

“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.