SCHEMBL5887440

SCHEMBL5887440

CCOC(C)O[C@@H]1C(=O)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
SIRT3 Q9NTG7 3/20 0.39
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
POLB P06746 1/20 0.36
FOLH1 Q04609 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.34
P2RX3 P56373 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1134975 1.00 ELANE (0.46) ELANESIRT3KMT2AMEN1POLB
SCHEMBL5887434 1.00 ELANE (0.46) ELANESIRT3KMT2AMEN1POLB
SCHEMBL28495663 0.89 ELANE (0.49) ELANEKMT2AMEN1POLBSMN1; SMN2
SCHEMBL7729786 0.87 ELANE (0.47) ELANEKMT2AMEN1POLBALDH1A1
SCHEMBL7732985 0.86 ELANE (0.46) ELANEKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5964086 0.86 ELANE (0.49) ELANEKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7778743 0.85 ELANE (0.45) ELANEKMT2AMEN1POLBALDH1A1
SCHEMBL7772609 0.84 ELANE (0.47) ELANEKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5963742 0.84 ELANE (0.44) ELANEALDH1A1SMN1; SMN2TSHR
SCHEMBL5963529 0.84 ELANE (0.44) ELANEKMT2AMEN1TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7070057-A None JP disclosed
US-7074945-B2 Metal alkoxide taxane derivatives FLORIDA STATE UNIVERSITY (US) 2006-07-11 US disclosed
US-20040073048-A1 Perparation of substituted isoserine esters using metal alkoxides and beta-lactams FLORIDA STATE UNIVERSITY 2004-04-15 US disclosed
US-6683196-B2 REACTING RACEMIC BETA-LACTAM WITH LITHIUM- 7-PROTECTED BACCATIN III- COMPLEX TO FORM 3'DESPHENYL-3'-(1-NAPTHYL)TAXOL; ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY 2004-01-27 US disclosed
EP-0884314-B1 Metal alkoxides UNIV FLORIDA STATE (US) 2004-01-21 EP disclosed
CN-1428337-A Method for synthesizing taxol C-13 side chain precursor YAN JIAQI (CN) 2003-07-09 CN disclosed
US-20030120096-A1 Reacting racemic beta-lactam with lithium- 7-protected baccatin III- complex to form 3'desphenyl-3'-(1-napthyl)taxol; antitumor agents FLORIDA STATE UNIVERSITY 2003-06-26 US disclosed
US-6562962-B2 Reacting metal alkoxides and beta-lactams to form substituted isoserine ester derivatives; antitumor agents; highly diastereoselective eliminating need to separate precursor into enantiomeric forms FLORIDA STATE UNIVERSITY 2003-05-13 US disclosed
CN-1392145-A Semi synthetic method for taxol PEIWOTE BIOLOG GENE ENGINEERIN (CN) 2003-01-22 CN disclosed
US-6479678-B1 Metal alkoxide taxane and β-lactam compounds FLORIDA STATE UNIVERSITY 2002-11-12 US disclosed
US-5384399-A Oxazinone compounds for the preparation of taxol FLORIDA STATE UNIVERSITY (US) 1995-01-24 US disclosed
US-5336785-A Reacting a beta-lactam with an alcohol to form a taxol intermediate FLORIDA STATE UNIVERSITY (US) 1994-08-09 US disclosed
US-5274124-A Metal alkoxides FLORIDA STATE UNIVERSITY (US) 1993-12-28 US disclosed
US-5229526-A METAL ALKOXIDES FLORIDA STATE UNIVERSITY (US) 1993-07-20 US disclosed
WO-1993006079-A1 PREPARATION OF SUBSTITUTED ISOSERINE ESTERS USING METAL ALKOXIDES AND β-LACTAMS FLORIDA STATE UNIVERSITY (US) 1993-04-01 WO disclosed
US-5175315-A Reacting with alcohol in presence of altivating agent FLORIDA STATE UNIVERSITY (US) 1992-12-29 US disclosed
US-5136060-A Reacting with alcohol FLORIDA STATE UNIVERSITY (US) 1992-08-04 US disclosed
EP-0428376-A1 Method for preparation of taxol using an oxazinone FLORIDA STATE UNIVERSITY (US) 1991-05-22 EP disclosed
US-5015744-A Esterification of an alcohol with an oxazinone FLORIDA STATE UNIVERSITY (US) 1991-05-14 US disclosed
EP-0400971-A2 Method for preparation of taxol FLORIDA STATE UNIVERSITY (US) 1990-12-05 EP 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-20030120096-A1 Reacting racemic beta-lactam with lithium- 7-protected baccatin III- complex to form 3'desphenyl-3'-(1-napthyl)taxol; antitumor agents CIAPIN1, NCSTN, AP3S1 ELANE 3196/4885SIRT3 649/4885KMT2A 4642/4885
US-20040073048-A1 Perparation of substituted isoserine esters using metal alkoxides and beta-lactams AGPS, PSPH, PTMS ELANE 2625/4885SIRT3 2565/4885KMT2A 3879/4885

“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.