SCHEMBL4481882

SCHEMBL4481882

COc1ccc2cc(C(=O)O)c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.51
RPS6KB1 P23443 7/20 0.51
HIF1A Q16665 1/20 0.42
PDPK1 O15530 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
AURKB Q96GD4 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40
HPGDS O60760 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NOS1 P29475 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4482160 0.90 AURKA (0.46) AURKARPS6KB1HIF1ABRD4HPGDS
SCHEMBL4482214 0.87 AURKA (0.49) AURKARPS6KB1HIF1APDPK1AURKB
SCHEMBL4489700 0.87 HIF1A (0.58) AURKARPS6KB1HIF1APDPK1AURKB
SCHEMBL4500058 0.85 SMN1; SMN2 (0.53) AURKARPS6KB1HIF1ASMN1; SMN2HPGDS
SCHEMBL4489260 0.82 HPGDS (0.55) SMN1; SMN2HPGDSKDM4EMAPT
SCHEMBL4496183 0.81 LMNA (0.46) AURKARPS6KB1HIF1ASMN1; SMN2HPGDS
SCHEMBL4501469 0.81 APEX1 (0.49) SMN1; SMN2HPGDSMEN1KMT2A
SCHEMBL4484547 0.81 APP (0.48) AURKARPS6KB1HIF1ASMN1; SMN2HPGDS
SCHEMBL4493680 0.81 MITF (0.56) AURKARPS6KB1KDM4EMEN1KMT2A
SCHEMBL4489494 0.79 HIF1A (0.60) AURKAHIF1ASMN1; SMN2HPGDSKDM4E

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 AURKA 235/4885RPS6KB1 296/4885HIF1A 4369/4885

“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.