SCHEMBL4333585

SCHEMBL4333585

CCOC(=O)C(=NNc1ccc(OC)c(OC)c1)C(=O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
KYAT1 Q16773 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.42
ABCB1 P08183 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL393794 0.82 GAA (0.58) MAPTMEN1KMT2AGAAKYAT1
SCHEMBL4333571 0.80 SMN1; SMN2 (0.45) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL4333564 0.80 SMN1; SMN2 (0.45) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL15682719 0.73 MAPT (0.63) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29052500 0.72 KYAT1 (0.57) MAPTMEN1KMT2AGAAKYAT1
SCHEMBL31728993 0.72 KYAT1 (0.57) MAPTMEN1KMT2AGAAKYAT1
SCHEMBL17572363 0.72 ALDH1A1 (0.53) MAPTMEN1KMT2AKYAT1SMN1; SMN2
SCHEMBL19086453 0.72 ALDH1A1 (0.53) MAPTMEN1KMT2AKYAT1SMN1; SMN2
SCHEMBL19086454 0.72 ALDH1A1 (0.53) MAPTMEN1KMT2AKYAT1SMN1; SMN2
SCHEMBL20022409 0.72 KYAT1 (0.57) MAPTMEN1KMT2AGAAKYAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 US disclosed
US-20040192682-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
WO-2004072029-A2 PYRAZOLOPYRIDAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-26 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 (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-20040192682-A1 Compositions useful as inhibitors of protein kinases GSK3A, GSK3B, CSNK1A1 MAPT 833/4885MEN1 1266/4885KMT2A 2215/4885
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases GSK3A, GSK3B, GSKIP MAPT 686/4885MEN1 1719/4885KMT2A 1927/4885

“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.