SCHEMBL4492223

SCHEMBL4492223

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
NR1H4 Q96RI1 3/20 0.47
EPHX2 P34913 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
RIOX2 Q8IUF8 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGDS O60760 1/20 0.43
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
EGFR P00533 1/20 0.42

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 0.91 KDM4E (0.53) AKR1C3AKR1C2MEN1NPC1RAB9A
SCHEMBL4477510 0.88 KDM4E (0.47) AKR1C3AKR1C2MEN1KMT2AKDM4E
SCHEMBL4487160 0.88 HPGDS (0.47) AKR1C3AKR1C2NPC1RAB9AL3MBTL1
SCHEMBL4489260 0.88 HPGDS (0.55) NPC1RAB9AKDM4EASPHKDM8
SCHEMBL4482149 0.87 KDM4E (0.47) AKR1C3AKR1C2MEN1NPC1RAB9A
SCHEMBL4490500 0.87 CTNNB1 (0.51) AKR1C3AKR1C2MEN1KMT2AKDM4E
SCHEMBL4484614 0.86 KDM4E (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL4482160 0.84 AURKA (0.46) KDM4EASPHKDM8RIOX2ALDH1A1
SCHEMBL4500058 0.84 SMN1; SMN2 (0.53) MEN1RAB9AKMT2AALDH1A1HPGDS
SCHEMBL4491139 0.83 CA1 (0.52) ALDH1A1CA1CA2

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 CCR9 4519/4885AKR1C3 2262/4885AKR1C2 2739/4885

“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.