SCHEMBL6809812

SCHEMBL6809812

O=S(=O)(Cl)c1ccc2oc(-c3ccncc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
GSK3B P49841 1/20 0.40
QPCT Q16769 1/20 0.40
HIF1A Q16665 1/20 0.39
MAOB P27338 2/20 0.39
APP P05067 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
MAPK14 Q16539 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CFTR P13569 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL10902022 0.76 RAB9A (0.50) ESR1ESR2GSK3BHIF1AMAOB
SCHEMBL10899785 0.73 MAPK14 (0.49) ESR1ESR2GSK3BQPCTHIF1A
SCHEMBL6636523 0.73 ADRA2A (0.59) ESR1ESR2MAOBADRA2AADRA2B
SCHEMBL10901534 0.73 MAOB (0.70) ESR1ESR2HIF1AMAOBAPP
Lithium Ion SCHEMBL6636809 0.72 ESR1 (0.41) ESR1ESR2GSK3BQPCTHIF1A
SCHEMBL692648 0.71 DYRK1A (0.44) CA1CA2CA9
SCHEMBL2331077 0.71 MAPT (0.52) CA1CA2CA9
Pyridarone SCHEMBL29993452 0.71 MAOB (0.62) CA1CA2CA9MAOBADRA2A
Pyridarone SCHEMBL2109298 0.71 MAOB (0.62) CA1CA2CA9MAOBADRA2A
SCHEMBL6805707 0.70 F10 (0.41) CA1CA2CA9ESR1ESR2

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-6686348-B2 N-HYDROXY-6-((2-(4-PYRIDYL)-1-BENZOFURAN-5-YL)SULPHONYL)-4,5,6,7 -TETRAHYDRO(2,3-C)-PYRIDINE-5-CARBOXAMIDE FOR EXAMPLE; TREATING RHEUMATIC DISEASES, CANCER LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
US-20020137744-A1 Metalloprotease inhibitors LES LABORATOIRES SERVIER (FR) 2002-09-26 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 (1 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-20020137744-A1 Metalloprotease inhibitors MMP9, MMP3, MMP2 CA1 110/4885CA2 191/4885CA9 81/4885

“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.