SCHEMBL14907938

SCHEMBL14907938

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
PTPN11 Q06124 1/20 0.46
PYGL P06737 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 2/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL14907939 0.96 DRD2 (0.50) DRD2PTPN11PYGLALDH1A1PKM
SCHEMBL14907934 0.88 PTPN11 (0.47) PTPN11PYGLGAAIDO1CA12
SCHEMBL14907959 0.87 PTPN11 (0.46) DRD2PTPN11PYGLGAACA12
SCHEMBL16139309 0.84 CCNC (0.47) PTPN11PYGLGAACA12CA1
SCHEMBL16139306 0.83 PTPN11 (0.45) DRD2PTPN11PYGLGAACA12
SCHEMBL14907905 0.83 MGLL (0.45) PTPN11ALDH1A1SMN1; SMN2LMNACA12
SCHEMBL11997705 0.81 PTPN11 (0.67) DRD2PTPN11ALDH1A1PKMTSHR
SCHEMBL16139308 0.79 MGLL (0.47) PTPN11ALDH1A1SMN1; SMN2GAACA12
SCHEMBL16139305 0.79 PYGL (0.54) PYGLALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL16141543 0.78 CTSS (0.46) CA1CA2BCHE

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 DRD2 700/4885PTPN11 1111/4885PYGL 1629/4885

“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.