SCHEMBL3079101

SCHEMBL3079101

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.52
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.33
CES1 P23141 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
SCHEMBL3075582 1.00 ELANE (0.52) ELANEKMT2AMEN1POLBCRHBP
SCHEMBL3079099 1.00 ELANE (0.52) ELANEKMT2AMEN1POLBCRHBP
SCHEMBL5516075 1.00 ELANE (0.52) ELANEKMT2AMEN1POLBCRHBP
SCHEMBL3076587 0.84 ELANE (0.51) ELANEKMT2AMEN1RIPK1
SCHEMBL3076591 0.84 ELANE (0.51) ELANEKMT2AMEN1RIPK1
SCHEMBL6409371 0.84 ELANE (0.51) ELANEKMT2AMEN1RIPK1
SCHEMBL6860240 0.80 ELANE (0.47) ELANESMN1; SMN2ALDH1A1
SCHEMBL6860243 0.80 ELANE (0.47) ELANESMN1; SMN2ALDH1A1
SCHEMBL9407836 0.79 ELANE (0.57) ELANEKMT2AMEN1POLBSIRT3
SCHEMBL9407840 0.79 ELANE (0.57) ELANEKMT2AMEN1POLBSIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617018-B1 Beta-lactams, methods for the preparation of taxanes, and sidechain-bearing taxanes BRISTOL MYERS SQUIBB CO (US) 2003-10-01 EP claimed
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-09-09 US disclosed
US-7667055-B2 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-23 US disclosed
EP-1919926-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS Florida State University Research Foundation, Inc. (US) 2008-05-14 EP disclosed
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 US disclosed
EP-1893594-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL Florida State University Research Foundation, Inc. (US) 2008-03-05 EP disclosed
EP-1888521-A2 RESOLUTION OF ENANTIOMERIC MIXTURES OF ß-LACTAMS Florida State University Research Foundation, Inc. (US) 2008-02-20 EP disclosed
WO-2006135656-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135655-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135669-A2 RESOLUTION OF ENANTIOMERIC MIXTURES OF β-LACTAMS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
US-20010014746-A1 Reacting metal alkoxides and beta-lactams to form substituted isoserine ester derivatives; antitumor agents; highly diastereoselective eliminating need to separate precursor into enantiomeric forms HOLTON ROBERT A (US) 2001-08-16 US disclosed
US-6069260-A STEREOSPECIFIC TAXANE DERIVATIVE HAVING METAL SALT OF THE HYDROXY ATTACHED TO THE CARBON AT THE 13 RING POSITION; CHEMICAL INTERMEDIATES FOR ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 2000-05-30 US disclosed
EP-0605638-B1 METAL ALKOXIDES UNIV FLORIDA STATE (US) 1999-09-01 EP disclosed
EP-0605637-B1 PREPARATION OF SUBSTITUTED ISOSERINE ESTERS USING METAL ALKOXIDES AND S-LACTAMS UNIV FLORIDA STATE (US) 1999-03-24 EP disclosed
EP-0884314-A2 Metal alkoxides FLORIDA STATE UNIVERSITY (US) 1998-12-16 EP disclosed
US-5723634-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS FLORIDA STATE UNIVERSITY (US) 1998-03-03 US disclosed
US-5539103-A COMPOUNDS FOR TREATMENT OF LEUKEMIA OR TUMORS FLORIDA STATE UNIVERSITY (US) 1996-07-23 US disclosed
US-5466834-A Taxane antitumor agent FLORIDA STATE UNIVERSITY (US) 1995-11-14 US disclosed
US-5274124-A Metal alkoxides FLORIDA STATE UNIVERSITY (US) 1993-12-28 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

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-20010014746-A1 Reacting metal alkoxides and beta-lactams to form substituted isoserine ester derivatives; antitumor agents; highly diastereoselective eliminating need to separate precursor into enantiomeric forms ASNS, AASDHPPT, AGPS ELANE 3930/4885KMT2A 3175/4885MEN1 989/4885
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS COASY, PARG, PIN4 ELANE 4817/4885KMT2A 1366/4885MEN1 179/4885

“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.