SCHEMBL5463180

SCHEMBL5463180

CCOC(=O)NCCNC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
ACHE P22303 8/20 0.48
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL29834112 0.93 ACHE (0.54) GLAKMT2AACHEMGAMGAA
SCHEMBL13010591 0.86 GAA (0.44) EPHX1GLAKMT2AACHEMGAM
SCHEMBL1524901 0.86 ACHE (0.48) GLAKMT2AACHEMGAMGAA
SCHEMBL3190326 0.84 EPHX1 (0.61) EPHX1KMT2AACHEMGAMGAA
SCHEMBL14288713 0.84 ACHE (0.47) GLAKMT2AACHEMGAMGAA
SCHEMBL423443 0.84 ACHE (0.47) GLAKMT2AACHEMGAMGAA
SCHEMBL593148 0.83
SCHEMBL21068069 0.83 ACHE (0.61) EPHX1GLAKMT2AACHEHDAC3
SCHEMBL7570219 0.83 ACHE (0.61) EPHX1GLAKMT2AACHEHDAC3
SCHEMBL16542303 0.82 ACHE (0.45) GLAKMT2AACHEMGAMGAA

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-8293869-B2 Polymer conjugates of GLP-1 NEKTAR THERAPEUTICS (US) 2012-10-23 US disclosed
US-20100210505-A1 POLYMER CONJUGATES OF GLP-1 NEKTAR THERAPEUTICS AL, CORPORATION (US) 2010-08-19 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 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 (2 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 EPHX1 487/4885GLA 4516/4885KMT2A 566/4885
US-20100210505-A1 POLYMER CONJUGATES OF GLP-1 GLP1R, GIPR, NGLY1 EPHX1 4021/4885GLA 794/4885KMT2A 898/4885

“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.