SCHEMBL3030002

SCHEMBL3030002

COC(=O)c1[nH]cc(C(=O)O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.43
CREBBP Q92793 1/20 0.40
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
MAP2K1 Q02750 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
AXL P30530 1/20 0.35

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
SCHEMBL3028817 0.86 NR4A2 (0.43) NR4A2CREBBPMAP2K1AXL
SCHEMBL3033301 0.84 NR4A2 (0.42) NR4A2CREBBPMAP2K1
SCHEMBL3027903 0.83 NR4A2 (0.41) NR4A2CREBBPMAP2K1
SCHEMBL21060930 0.81 LMNA (0.44) NR4A2CREBBPMAP2K1
SCHEMBL3033601 0.81 NR4A2 (0.40) NR4A2CREBBPMAP2K1
SCHEMBL13983016 0.81 KDM4E (0.49)
SCHEMBL6022276 0.80 NR4A2 (0.41) NR4A2CREBBPMAP2K1AXL
SCHEMBL21060862 0.79 XDH (0.44) NR4A2CREBBP
SCHEMBL3554714 0.79 NR4A2 (0.42) NR4A2CREBBP
SCHEMBL3035913 0.79 LMNA (0.44) NR4A2CREBBPMAP2K1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NR4A2 2805/4885CREBBP 2208/4885CSNK2A2 3843/4885

“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.