SCHEMBL3782920

SCHEMBL3782920

CCOC(C)O[C@@H](C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 2/20 0.45
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL7218496 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL8529886 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL9293004 1.00 CTSK (0.45) CTSKCTSSATMMAPTPPARA
SCHEMBL10463737 0.91 CTSK (0.43) CTSKCTSSATMMAPT
SCHEMBL8911849 0.91 CTSK (0.43) CTSKCTSSATMMAPTPPARA
SCHEMBL8911855 0.88 CTSK (0.41) CTSKCTSSATMMAPTPPARA
SCHEMBL7065105 0.87 CTSK (0.41) CTSKCTSSATMPPARAPPARG
SCHEMBL9292986 0.83 MAPT (0.45) CTSKCTSSATMMAPTAKT1
SCHEMBL9293035 0.82 ALDH1A1 (0.51)
SCHEMBL8314307 0.82 ALDH1A1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847111-B2 Semi-synthetic route for the preparation of paclitaxel, docetaxel, and 10-deacetylbaccatin III from 9-dihydro-13-acetylbaccatin III CANADA INC. (CA) 2010-12-07 US claimed
EP-2688877-B1 SOLID STATE FORMS OF CABAZITAXEL AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICALS INT GMBH (CH) 2017-03-08 EP disclosed
US-20150073159-A1 Solid State Forms Of Cabazitaxel And Processes For Preparation Thereof PLUS CHEMICALS SA (CH) 2015-03-12 US disclosed
US-8921411-B2 Solid state forms of cabazitaxel and processes for preparation thereof PLUS CHEMICALS SA (CH) 2014-12-30 US disclosed
US-20140011865-A1 SOLID STATE FORMS OF CABAZITAXEL AND PROCESSES FOR PREPARATION THEREOF PLUS CHEMICALS SA (CH) 2014-01-09 US disclosed
US-7847111-B2 Semi-synthetic route for the preparation of paclitaxel, docetaxel, and 10-deacetylbaccatin III from 9-dihydro-13-acetylbaccatin III CANADA INC. (CA) 2010-12-07 US disclosed
US-20070293687-A1 SEMI-SYNTHETIC ROUTE FOR THE PREPARATION OF PACLITAXEL, DOCETAXEL, AND 10-DEACETYLBACCATIN III FROM 9-DIHYDRO-13-ACETYLBACCATIN III 6570763 CANADA INC. (CA) 2007-12-20 US disclosed
US-6596880-B1 Esterification of baccatine derivative AVENTIS PHARMA S.A. (FR) 2003-07-22 US disclosed
US-5977375-A Esters of baccatin III and 10-deacetylbaccatin III RHONE-POULENC RORER S.A. (FR) 1999-11-02 US disclosed
US-5717103-A Process for the esterification of baccatin III and of 10-deacetylbaccatin III RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed
US-5606068-A Acid anhydrides, their preparation and their use RHONE-POULENC RORER S.A. (FR) 1997-02-25 US disclosed
US-5578739-A Process for the preparation of Baccatin III and 10-deacetylbaccatin III derivatives RHONE-POULENC RORER S.A. (FR) 1996-11-26 US disclosed
US-5463106-A Process for the enantioselective preparation of phenylisosrine derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1995-10-31 US disclosed
US-5304670-A Process for the enantioselective preparation of phenylisoserine derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1994-04-19 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 (3 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-20070293687-A1 SEMI-SYNTHETIC ROUTE FOR THE PREPARATION OF PACLITAXEL, DOCETAXEL, AND 10-DEACETYLBACCATIN III FROM 9-DIHYDRO-13-ACETYLBACCATIN III H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT5, KYAT3 CTSK 1320/4885CTSS 2680/4885ATM 882/4885
US-20150073159-A1 Solid State Forms Of Cabazitaxel And Processes For Preparation Thereof KLK3, AR, KLK4 CTSK 739/4885CTSS 1486/4885ATM 1331/4885
US-20140011865-A1 SOLID STATE FORMS OF CABAZITAXEL AND PROCESSES FOR PREPARATION THEREOF KLK3, AR, KLK4 CTSK 769/4885CTSS 1474/4885ATM 1254/4885

“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.