SCHEMBL14907934

SCHEMBL14907934

Cc1ccc(C#CC(=O)NCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PYGL P06737 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL16139309 0.96 CCNC (0.47) PTPN11CA1CA2CA12CA9
SCHEMBL14907959 0.88 PTPN11 (0.46) PTPN11CA1CA2CA12CA9
SCHEMBL14907938 0.88 DRD2 (0.48) PTPN11CA1CA2CA12CA9
SCHEMBL14907939 0.84 DRD2 (0.50) PTPN11CA1CA2CA12CA9
SCHEMBL16139306 0.84 PTPN11 (0.45) PTPN11CA1CA2CA12CA9
SCHEMBL14907905 0.84 MGLL (0.45) PTPN11CA1CA2CA12CA9
SCHEMBL16139308 0.80 MGLL (0.47) PTPN11CA1CA2CA12CA9
SCHEMBL16141543 0.79 CTSS (0.46) CA1CA2BCHE
SCHEMBL16139304 0.78 PYGL (0.48) TDP1PYGL
SCHEMBL14907932 0.77 PYGL (0.47) CA1CA2CA12CA9PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B PTPN11 1111/4885CA1 4813/4885CA2 4044/4885

“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.