SCHEMBL4453953

SCHEMBL4453953

O=C(O)c1ccc(COc2ccc(-c3csc(Cc4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
RXRA P19793 5/20 0.51
RXRB P28702 5/20 0.51
NR4A2 P43354 4/20 0.51
POLB P06746 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
SRD5A2 P31213 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PLA2G4B P0C869 2/20 0.46
PTPN1 P18031 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL5585454 0.92 RXRA (0.64) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL5585514 0.88 HRH3 (0.48) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL1198141 0.87 RAB9A (0.71) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL1199693 0.83 RAB9A (0.65) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL1197869 0.83 RAB9A (0.69) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL1198172 0.83 KDM4E (0.54) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL31590332 0.83 KDM4E (0.54) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL12876980 0.83 RAB9A (0.58) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL6000946 0.81 PTPN2 (0.61) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL6000642 0.81 PTPN2 (0.61) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
EP-1819691-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2007-08-22 EP disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
WO-2006058648-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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 (3 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A RAB9A 4301/4885KDM4E 2587/4885NPC1 2787/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A RAB9A 4301/4885KDM4E 2587/4885NPC1 2787/4885
US-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 RAB9A 1736/4885KDM4E 1482/4885NPC1 1217/4885

“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.