SCHEMBL4487160

SCHEMBL4487160

COc1ccc2cc(C(=O)O)c(NCc3ccc(C(=O)O)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
RIOX2 Q8IUF8 1/20 0.47
TSHR P16473 1/20 0.46
CTNNB1 P35222 2/20 0.45
TCF7L2 Q9NQB0 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MMP13 P45452 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44

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
SCHEMBL4487073 0.94 KDM4E (0.53) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4477510 0.91 KDM4E (0.47) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4489260 0.91 HPGDS (0.55) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4490500 0.90 CTNNB1 (0.51) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4482149 0.90 KDM4E (0.47) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4484614 0.89 KDM4E (0.46) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4492223 0.88 CCR9 (0.47) HPGDSKDM4EASPHKDM8RIOX2
SCHEMBL4500058 0.86 SMN1; SMN2 (0.53) HPGDSTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL4491139 0.86 CA1 (0.52) ALDH1A1CA1CA2HPGD
SCHEMBL4489494 0.85 HIF1A (0.60) HPGDSKDM4ETSHRCTNNB1TCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 HPGDS 2702/4885KDM4E 1641/4885ASPH 4381/4885

“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.