SCHEMBL4487805

SCHEMBL4487805

COc1ccc2cc(C(=O)O)c(NCCc3ccc(Oc4ccccc4)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TACR3 P29371 1/20 0.46
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
PTGDR Q13258 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HCAR2 Q8TDS4 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACP1 P24666 1/20 0.43
PLA2G2A P14555 1/20 0.43
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGDS O60760 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
SCHEMBL4488036 0.94 TACR3 (0.51) TACR3CSNK2A2CSNK2A1PTGDRGPBAR1
SCHEMBL4497855 0.92 PTGDR (0.51) TACR3CSNK2A2CSNK2A1PTGDRGPBAR1
SCHEMBL4492686 0.89 CSNK2A2 (0.55) TACR3CSNK2A2CSNK2A1KMT2AMEN1
SCHEMBL4478359 0.89 PTGDR (0.46) TACR3CSNK2A2CSNK2A1PTGDRGPBAR1
SCHEMBL4484812 0.88 PTGDR (0.46) NFKB1NFKB2RELATACR3CSNK2A2
SCHEMBL4486308 0.87 PGK1 (0.50) TACR3CSNK2A2CSNK2A1PTGDRGPBAR1
SCHEMBL4493553 0.85 KMT2A (0.57) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL4488271 0.85 MAPT (0.50) PTGDRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4490373 0.85 CA1 (0.55) KMT2AMAPTTP53
SCHEMBL4484055 0.84 CSNK2A2 (0.52) CSNK2A2CSNK2A1PTGDRGPBAR1KMT2A

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 NFKB1 2335/4885NFKB2 1765/4885RELA 1835/4885

“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.