SCHEMBL4487533

SCHEMBL4487533

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
SLC16A3 O15427 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HPGDS O60760 5/20 0.43
PTGS2 P35354 1/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 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
SCHEMBL4489484 0.88 TDP1 (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4495043 0.86 SLC16A3 (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4487682 0.86 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4477848 0.86 BRD4 (0.41) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4487073 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4489575 0.85 MERTK (0.47) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4481447 0.85 FERMT2 (0.45) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4478082 0.85 MEN1 (0.52) KDM4EALDH1A1HPGDPOLBHSD17B10
Hydrochloric Acid SCHEMBL4500370 0.84 TERT (0.48) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL4493667 0.84 SYK (0.46) KDM4EALDH1A1HPGDPOLBHSD17B10

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.