SCHEMBL14907959

SCHEMBL14907959

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PYGL P06737 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
BRD4 O60885 1/20 0.39
DRD2 P14416 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL16139306 0.96 PTPN11 (0.45) PTPN11CTSSCTSKGAAPOLB
SCHEMBL14907934 0.88 PTPN11 (0.47) PTPN11GAACA12CA1CA2
SCHEMBL14907938 0.87 DRD2 (0.48) PTPN11GAACA12CA1CA2
SCHEMBL16141543 0.85 CTSS (0.46) CTSSCTSKCA1CA2BCHE
SCHEMBL16139309 0.84 CCNC (0.47) PTPN11GAACA12CA1CA2
SCHEMBL14907939 0.83 DRD2 (0.50) PTPN11GAACA12CA1CA2
SCHEMBL14907905 0.83 MGLL (0.45) PTPN11CA12CA1CA2CA9
SCHEMBL16139308 0.79 MGLL (0.47) PTPN11GAACA12CA1CA2
SCHEMBL16139302 0.79 ALDH1A1 (0.51) PYGL
SCHEMBL16139307 0.76 CTSS (0.43) CTSSCTSKGAACA12CA1

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 1111/4885CTSS 3517/4885CTSK 3269/4885

“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.