SCHEMBL4488335

SCHEMBL4488335

COc1ccc2cc(C(=O)O)c(N3CCC(O)CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
CASP1 P29466 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CASP7 P55210 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 5/20 0.51
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
CLK1 P49759 2/20 0.46
HPGDS O60760 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL4487727 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL26617618 0.79 SCN10A (0.44) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL31055812 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL28532626 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7064360 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2945200 0.73 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL22279060 0.72 OPRK1 (0.53) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL621720 0.72 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL26617826 0.70 MEN1 (0.48) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL4484697 0.70 HPGDS (0.54) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 KDM4E 1641/4885ALDH1A1 3862/4885HPGD 3067/4885

“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.