SCHEMBL2654597

SCHEMBL2654597

Cc1cc(COc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc3occc23)no1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.44
NOX1 Q9Y5S8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
HCAR3 P49019 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2666934 0.93 NOX1 (0.44) GCKNOX1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5221627 0.92 NOX1 (0.45) GCKNOX1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2654604 0.89 GCK (0.51) GCKNOX1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5218374 0.86 PTGER1 (0.45) NOX1ALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5221067 0.81 GCK (0.51) GCKNOX1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5226263 0.80 NOX1 (0.42) NOX1ALDH1A1MAPK1HTTTP53
SCHEMBL2655319 0.80 GCK (0.67) GCKNOX1RARARARBRARG
SCHEMBL5451958 0.76 GCK (0.65) GCKRARARARBRARG
SCHEMBL5217769 0.73 GCK (0.55) GCKNOX1RARARARBRARG
SCHEMBL2653534 0.72 GCK (0.58) GCKRARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP claimed
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2006-03-16 US claimed
EP-1578745-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF Astrazeneca AB (SE) 2005-09-28 EP claimed
WO-2004046139-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2004-06-03 WO claimed
US-7709505-B2 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709505-B2 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709505-B2 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1578745-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF Astrazeneca AB (SE) 2005-09-28 EP disclosed
WO-2004046139-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2004-06-03 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-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof GCK, PDK2, GCKR GCK 1/4885NOX1 1042/4885ALDH1A1 337/4885

“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.