SCHEMBL4478359

SCHEMBL4478359

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.46
CYP3A4 P08684 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOD2 Q9HC29 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR3 P29371 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 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
SCHEMBL4497855 0.94 PTGDR (0.51) PTGDRCYP3A4HCAR2KMT2AMEN1
SCHEMBL4488036 0.91 TACR3 (0.51) PTGDRHCAR2KMT2AMEN1SMN1; SMN2
SCHEMBL4484812 0.90 PTGDR (0.46) PTGDRCYP3A4HCAR2KMT2AMEN1
SCHEMBL4487805 0.89 NFKB1 (0.48) PTGDRCYP3A4HCAR2KMT2AMEN1
SCHEMBL4486308 0.89 PGK1 (0.50) PTGDRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL4493553 0.87 KMT2A (0.57) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4492686 0.87 CSNK2A2 (0.55) KMT2AMEN1ALDH1A1KDM4ETACR3
SCHEMBL4488271 0.87 MAPT (0.50) PTGDRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4490373 0.87 CA1 (0.55) KMT2AALDH1A1KDM4EMAPTTP53
SCHEMBL4503010 0.85 KMT2A (0.48) PTGDRCYP3A4HCAR2KMT2AMEN1

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 PTGDR 4695/4885CYP3A4 2341/4885HCAR2 3005/4885

“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.