SCHEMBL1246511

SCHEMBL1246511

CC(C)CN(CC(O)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.39
ACE P12821 6/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MLYCD O95822 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL8016966 1.00 MME (0.39) MMEACECA12CA1CA2
SCHEMBL20326558 0.88 CA1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL8030419 0.83 CA14 (0.35) CA12CA1CA2CA9CA14
SCHEMBL28463509 0.80 CA14 (0.35) CA14
SCHEMBL28463510 0.80 CA14 (0.35) CA14
SCHEMBL2862223 0.79 CA1 (0.38) CA12CA1CA2CA9CA14
SCHEMBL19750797 0.79 CA1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL21877076 0.78 CA14 (0.39) CA12CA1CA2CA14HDAC1
SCHEMBL20315020 0.77 CA14 (0.40) CA12CA1CA2CA9CA14
SCHEMBL14750621 0.77 MEN1 (0.34) CA12CA1CA2CA14MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298754-B9 Preparation of taxane derivatives INDENA SPA (IT) 2013-12-18 EP disclosed
EP-2298754-B1 Preparation of taxane derivatives INDENA SPA (IT) 2013-08-07 EP disclosed
EP-2264019-B1 Intermediates for the preparation of taxane derivatives INDENA SPA (IT) 2013-07-24 EP disclosed
EP-2077264-B1 Taxane derivatives and a process for the preparation thereof INDENA SPA (IT) 2012-11-14 EP disclosed
EP-2298754-A1 Preparation of taxane derivatives Indena S.p.A. (IT) 2011-03-23 EP disclosed
EP-2281820-A2 Taxane derivatives and a process for the preparation thereof Indena S.p.A. (IT) 2011-02-09 EP disclosed
EP-2264019-A1 Intermediates fot the preparation of taxane derivatives Indena S.p.A. (IT) 2010-12-22 EP disclosed
EP-2077264-A2 Taxane derivatives and a process for the preparation thereof INDENA S.p.A. (IT) 2009-07-08 EP disclosed
US-7498452-B2 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof INDENA S.P.A. (IT) 2009-03-03 US disclosed
EP-1980557-A2 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof Indena S.P.A. (IT) 2008-10-15 EP disclosed
EP-1537093-B1 TAXANE DERIVATIVES FUNCTIONALIZED AT THE 14- POSITION AND A PROCESS FOR THE PREPARATION THEREOF INDENA SPA (IT) 2008-06-11 EP disclosed
US-20060122258-A1 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof INDENA S.P.A. (IT) 2006-06-08 US disclosed
CN-1681799-A Taxane derivatives functionalized at the 14- position and a process for the preparation thereof INDENA SPA (IT) 2005-10-12 CN 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-20060122258-A1 Taxane derivatives functionalized at the 14-position and a process for the preparation thereof TUBA1B, TUBB2B, TUBB3 MME 4597/4885ACE 3840/4885CA12 436/4885

“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.