SCHEMBL3203615

SCHEMBL3203615

CS(=O)(=O)OCc1cc(Cl)cc2cc(-c3cccnc3)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.41
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
KMT2A Q03164 2/20 0.39
PRKDC P78527 1/20 0.39
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3215940 0.87 PTGER1 (0.50) PTGER1NPC1RAB9A
SCHEMBL3219160 0.81 CYP1A1 (0.40) PTGER1CYP1A2KDM4ECYP1A1CYP1B1
SCHEMBL3225349 0.80 PTGER1 (0.39) PTGER1
SCHEMBL3214286 0.79 CYP2A6 (0.48) PTGER1CYP1A2KDM4ECYP1A1CYP1B1
SCHEMBL3220804 0.74 MAOA (0.40) PTGER1PTGS2NPC1RAB9A
SCHEMBL3225601 0.73 NR4A2 (0.46) CYP1A2KDM4ECYP1A1CYP1B1KMT2A
SCHEMBL3213364 0.71 PTGER1 (0.82) PTGER1
SCHEMBL3220893 0.70 ESR1 (0.39) PTGER1CYP1A2KDM4EKMT2ANPC1
SCHEMBL3222350 0.70 PTGER1 (0.66) PTGER1
SCHEMBL30948143 0.70 SCD (0.41) CYP1A2KDM4EKMT2APTGS2NPC1

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-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
EP-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP 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
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 PTGER1 1/4885CYP1A2 69/4885KDM4E 3664/4885

“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.