SCHEMBL1919686

SCHEMBL1919686

COc1ccccc1-c1ccc(C(=O)O)c(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
EIF4E P06730 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CLCN2 P51788 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 1/20 0.45
GPR35 Q9HC97 2/20 0.45
HPGDS O60760 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
PDE10A Q9Y233 1/20 0.44
CTSA P10619 1/20 0.43
GRIK1 P39086 1/20 0.43

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
SCHEMBL1920743 0.87 PDCD1 (0.49) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL3755649 0.87 DHODH (0.47) DHODHEIF4EKDM4EALDH1A1HPGD
SCHEMBL1919687 0.84 HSP90AA1 (0.45) DHODHEIF4EHSP90AA1HSP90AB1CLCN2
SCHEMBL20745530 0.75 ATR (0.48) DHODHKDM4EALDH1A1HPGDGPR35
SCHEMBL23943222 0.75 CD274 (0.46) DHODHALDH1A1
SCHEMBL15517040 0.75 GPR35 (0.57) DHODHCLCN2KDM4EALDH1A1HPGD
SCHEMBL10900818 0.75 ALDH1A1 (0.64) DHODHKDM4EALDH1A1MEN1KMT2A
SCHEMBL11906808 0.74 ATR (0.53) DHODHHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL17498455 0.74 KDM4E (0.56) KDM4EALDH1A1HPGD
SCHEMBL4490553 0.73 HSP90AA1 (0.58) DHODHEIF4EHSP90AA1HSP90AB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
EP-2326639-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-01 EP disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors GSK3B, GSK3A, GSKIP DHODH 961/4885EIF4E 1220/4885HSP90AA1 3310/4885

“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.