SCHEMBL3032676

SCHEMBL3032676

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.42
NR4A2 P43354 5/20 0.40
HPGD P15428 3/20 0.39
GRM1 Q13255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HTT P42858 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL3035913 0.85 LMNA (0.44) PYGLNR4A2HPGDGRM1CREBBP
SCHEMBL3027903 0.80 NR4A2 (0.41) NR4A2HPGDCREBBPALDH1A1LMNA
SCHEMBL21060930 0.79 LMNA (0.44) PYGLNR4A2GRM1HTTCREBBP
SCHEMBL3030002 0.77 NR4A2 (0.43) NR4A2CREBBP
SCHEMBL3028817 0.77 NR4A2 (0.43) NR4A2CREBBP
SCHEMBL3033301 0.75 NR4A2 (0.42) NR4A2CREBBPALDH1A1
SCHEMBL3033601 0.73 NR4A2 (0.40) NR4A2CREBBPALDH1A1
SCHEMBL3033205 0.71 HPGD (0.43) PYGLHPGDHSD17B10POLBCA12
SCHEMBL21060862 0.71 XDH (0.44) NR4A2POLBCA12CA1CA2
SCHEMBL3554714 0.71 NR4A2 (0.42) NR4A2HPGDHSD17B10POLBHTT

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 PYGL 2918/4885NR4A2 2805/4885HPGD 824/4885

“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.