SCHEMBL4179988

SCHEMBL4179988

CCOC(=O)c1cn(OC)c2ccc(C#CCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
LMNA P02545 2/20 0.41
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
ADRA2A P08913 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
P2RY6 Q15077 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GABRA1 P14867 1/20 0.33

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
SCHEMBL3974096 0.88 LMNA (0.56) PTPN11LMNADDB1CRBNADRA2A
SCHEMBL5430748 0.85 DDB1 (0.41) PTPN11LMNADDB1CRBNADRA2A
SCHEMBL4171045 0.83 DDB1 (0.40) PTPN11LMNADDB1CRBNADRA2A
SCHEMBL4169399 0.80 LMNA (0.41) LMNAKMT2AMAPTKDM4ECRHBP
SCHEMBL4164845 0.79 GABRA1 (0.55) PTPN11DDB1CRBNKMT2AHPGD
SCHEMBL3815499 0.78 LMNA (0.50) LMNADDB1CRBNKMT2AHPGD
SCHEMBL3291116 0.77 LMNA (0.37) PTPN11LMNADDB1CRBNKMT2A
SCHEMBL3978768 0.76 LMNA (0.41) PTPN11LMNADDB1CRBNKMT2A
SCHEMBL5442448 0.76 DDB1 (0.42) PTPN11LMNADDB1CRBNADRA2A
SCHEMBL3288890 0.75 PTPN11 (0.47) PTPN11LMNADDB1CRBNADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 PTPN11 2201/4885LMNA 1055/4885DDB1 3765/4885

“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.