SCHEMBL3220804

SCHEMBL3220804

CS(=O)(=O)OCc1cc(S(C)(=O)=O)cc2cc(-c3ccccc3)oc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
PTGS2 P35354 3/20 0.38
PTGER1 P34995 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL3215940 0.86 PTGER1 (0.50) MAOAMAOBPTGER1NPC1RAB9A
SCHEMBL3203486 0.85 PTGS2 (0.41) MAOAMAOBPTGS2PTGER1
SCHEMBL3220893 0.83 ESR1 (0.39) MAOAMAOBPTGER1NPC1RAB9A
SCHEMBL14104632 0.75 TUBB8B (0.43) MAOAMAOBPTGS2PTGER1
SCHEMBL3225349 0.75 PTGER1 (0.39) PTGER1
SCHEMBL3212340 0.74 PTGS2 (0.44) MAOAMAOBPTGS2
SCHEMBL3203615 0.74 PTGER1 (0.41) PTGS2PTGER1NPC1RAB9A
SCHEMBL3210667 0.72 PTGER1 (0.74) PTGER1
SCHEMBL3227503 0.71 PTGER1 (0.61) PTGER1
SCHEMBL3220845 0.71 PTGER1 (0.75) PTGER1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO 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-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR PTGER1, PTGER2, PTGER4 MAOA 2679/4885MAOB 2136/4885PTGS2 13/4885

“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.