SCHEMBL5016759

SCHEMBL5016759

CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CO)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
BTK Q06187 1/20 0.40
NR1H2 P55055 1/20 0.38
KDM1A O60341 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4998586 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL31454797 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL31454839 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL3906310 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL13628664 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058662 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5545237 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKKDM1A
SCHEMBL14511588 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058659 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058660 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628044-B1 THERAPEUTIC NUCLEOSIDES WELLCOME FOUND (GB) 2003-07-23 EP claimed
EP-1982985-A2 Method for manufacturing a purine derivative Lonza AG (CH) 2008-10-22 EP disclosed
US-7338945-B2 Process for the preparation of aminoalcohol derivatives and their further conversion to (1R, 4S)-4(2-amino-6-chloro-5-formamido-4-pyrimidinyl)-amino-2-cyclopentenyl-1-methanol LONZA AG (CH) 2008-03-04 US disclosed
US-20070123545-A1 PROCESS FOR THE PREPARATION OF AMINOALCOHOL DERIVATIVES AND THEIR FURTHER CONVERSION TO (1R, 4S)-4(2-AMINO-6-CHLORO-5-FORMAMIDO-4- PYRIMIDINYL)-AMINO-2-CYCLOPENTENYL-1-METHANOL LONZA LTD. (CH) 2007-05-31 US disclosed
US-20060211862-A1 PROCESS FOR THE PREPARATION OF AMINOALCOHOL DERIVATIVES AND THEIR FURTHER CONVERSION TO (1R, 4S)-4(2-AMINO-6-CHLORO-5-FORMAMIDO-4- PYRIMIDINYL)-AMINO-2-CYCLOPENTENYL-1-METHANOL LONZA INC. (US) 2006-09-21 US disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1418170-B1 Process for the preparation of optically active amino alcohols by optical resolution LONZA AG (CH) 2006-06-07 EP disclosed
EP-1657243-A1 Procedure for the production of amino alcohols Lonza AG (CH) 2006-05-17 EP disclosed
EP-1508565-A1 Process for the preparation of optically active aminoalcohols Lonza AG (CH) 2005-02-23 EP disclosed
EP-1502914-A1 Process for the preparation of 1-amino-4-(hydroxymethyl)-2-cyclopentene derivatives Lonza AG (CH) 2005-02-02 EP disclosed
US-6448402-B2 REDUCTION OF 2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE USING METAL HYRIDE LONZA AG (CH) 2002-09-10 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
US-20020010360-A1 Process for the preparation of aminoalcohol derivatives and their further conversion to (1R, 4S)-4-((2-amino-6-chloro-5-formamido-4-pyrimidinyl)-amino)-2-cyclopentenyl-1- methanol LONZA AG (CH) 2002-01-24 US disclosed
US-6262295-B1 REACTING CYCLOPENTENE-4-CARBOXYLIC ACID WITH AN ACYL HALIDE LONZA A.G. (CH) 2001-07-17 US disclosed
US-6252112-B1 MIBCROBIAL HYDROLYSIS OF THE TITLE COMPOUND DERIVATIVE USING ENZYME HAVING N-ACETYLAMINO-ALCOHOL HYDROLASE OR PENICILLIN G ACYLASE ACTIVITY WITH SUBSEQUENT ACYLATION LONZA A.G., (CH) 2001-06-26 US disclosed
US-6156893-A Process for the preparation of (1S,4R)- or (1R,4S)- 4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol LONZA A.G. (CH) 2000-12-05 US disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed
US-6137007-A CHEMICAL INTERMEDIATES FOR NUCLEOSIDE, 4-2-(AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, WHICH IS AN INTERMEDIATE FOR 6-(CYCLOPROPYLAMINO)-DERIVATIVE LONZA AG (CH) 2000-10-24 US disclosed
EP-0926131-A2 Process for the preparation of aminoalcohol derivatives and their further transformation zu (1R,4S)-4-((2-amino-6-chlor-5-formamido-4-pyrimidinyl)-amino)-2-cyclopenten-1-methanol LONZA A.G. (CH) 1999-06-30 EP disclosed
EP-0878548-A2 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 1998-11-18 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 (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-20070123545-A1 PROCESS FOR THE PREPARATION OF AMINOALCOHOL DERIVATIVES AND THEIR FURTHER CONVERSION TO (1R, 4S)-4(2-AMINO-6-CHLORO-5-FORMAMIDO-4- PYRIMIDINYL)-AMINO-2-CYCLOPENTENYL-1-METHANOL GART, AASDHPPT, TYMS NFKB1 3059/4885NFKB2 3584/4885RELA 3941/4885
US-20020010360-A1 Process for the preparation of aminoalcohol derivatives and their further conversion to (1R, 4S)-4-((2-amino-6-chloro-5-formamido-4-pyrimidinyl)-amino)-2-cyclopentenyl-1- methanol AASDHPPT, ALDH7A1, AADAT NFKB1 3250/4885NFKB2 3400/4885RELA 3809/4885
US-20060211862-A1 PROCESS FOR THE PREPARATION OF AMINOALCOHOL DERIVATIVES AND THEIR FURTHER CONVERSION TO (1R, 4S)-4(2-AMINO-6-CHLORO-5-FORMAMIDO-4- PYRIMIDINYL)-AMINO-2-CYCLOPENTENYL-1-METHANOL GART, AASDHPPT, TYMS NFKB1 3059/4885NFKB2 3584/4885RELA 3941/4885

“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.