SCHEMBL3219065

SCHEMBL3219065

CC(C)(C)OC(=O)NNCc1cc(Cl)cc(I)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
IDO1 P14902 2/20 0.34
APLNR P35414 1/20 0.33
NQO2 P16083 1/20 0.33
SERPINE1 P05121 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
EGFR P00533 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MIF P14174 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL3207311 0.85 GAA (0.41) GAAIDO1APLNRNQO2SERPINE1
SCHEMBL248758 0.79 GAA (0.48) GAAIDO1ANO1EGFRMEN1
SCHEMBL7391934 0.71 NPC1 (0.49) GAAMEN1LMNAPOLBHPGD
SCHEMBL11399075 0.71 KDM4A (0.40) NQO2SERPINE1CYP2C9LMNA
SCHEMBL4025879 0.71 GAA (0.68) GAACYP2C9MEN1LMNAKMT2A
SCHEMBL25416693 0.70 APLNR (0.41) GAAAPLNRNQO2SERPINE1MTNR1A
SCHEMBL14564600 0.70 TSHR (0.44) GAANQO2EGFRMEN1LMNA
SCHEMBL3007733 0.69 IDO1 (0.51) GAAIDO1NQO2ANO1MEN1
SCHEMBL7326336 0.69 CTSL (0.51) GAA
SCHEMBL30525728 0.69 GPR119 (0.43) GAAAPLNRANO1MEN1KMT2A

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 GAA 4047/4885IDO1 1721/4885APLNR 1981/4885

“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.