SCHEMBL4489484

SCHEMBL4489484

COc1ccc2cc(C(=O)O)c(NCCC(=O)O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
MAPT P10636 2/20 0.47
AKR1C1 Q04828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC16A3 O15427 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGDS O60760 3/20 0.41
HTT P42858 1/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 3/20 0.40

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
SCHEMBL4487682 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4495043 0.89 SLC16A3 (0.46) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4478082 0.88 MEN1 (0.52) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4489575 0.88 MERTK (0.47) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4481447 0.88 FERMT2 (0.45) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4487533 0.88 KDM4E (0.45) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4493667 0.87 SYK (0.46) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4495280 0.87 KMT2A (0.48) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4484627 0.86 TERT (0.49) ALDH1A1KDM4EHPGDHSD17B10SLC16A3
SCHEMBL4487199 0.86 BRD4 (0.45) TDP1ALDH1A1KDM4EHPGDHSD17B10

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 TDP1 600/4885ALDH1A1 3862/4885KDM4E 1641/4885

“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.