SCHEMBL4455375

SCHEMBL4455375

CC(C)OCC(C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL14842127 0.86 ABCB1 (0.52) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL6379383 0.85 ALDH1A1 (0.57) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL21837432 0.85 ABCB1 (0.44) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL21837431 0.85 ABCB1 (0.44) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL21837792 0.85 ABCB1 (0.44) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL5192318 0.84 ABCB1 (0.47) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL2497060 0.83 CTSK (0.57) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL7000046 0.83 CTSK (0.57) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL2300007 0.83 CTSK (0.57) ABCB1ITGB3ITGA2BCTSKCTSL
SCHEMBL21874257 0.83 ABCB1 (0.51) ABCB1ITGB3ITGA2BCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 — — US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 — — EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 — — US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 — — EP disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 — — EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 — — WO disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 — — 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ABCB1 1072/4885ITGB3 1622/4885ITGA2B 2752/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 ABCB1 630/4885ITGB3 3817/4885ITGA2B 4260/4885

“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.

Send feedback