SCHEMBL2175950

SCHEMBL2175950

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.71
MLNR O43193 1/20 0.71
NR1I2 O75469 1/20 0.71
SLCO2B1 O94956 1/20 0.71
ABCB11 O95342 1/20 0.71
ABCB1 P08183 1/20 0.71
CCKAR P32238 1/20 0.71
OPRK1 P41145 1/20 0.71
GHSR Q92847 1/20 0.71
SLCO1B3 Q9NPD5 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.71
SLCO1B1 Q9Y6L6 1/20 0.71
KCNH2 Q12809 1/20 0.52
PSEN1 P49768 9/20 0.51
PSEN2 P49810 9/20 0.51
APH1B Q8WW43 9/20 0.51
NCSTN Q92542 9/20 0.51
APH1A Q96BI3 9/20 0.51
PSENEN Q9NZ42 9/20 0.51
KLK5 Q9Y337 2/20 0.48

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
SCHEMBL1300966 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8162986 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL30018952 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL16298849 0.97 UGT1A1 (0.73) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2178325 0.97 UGT1A1 (0.69) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL10034686 0.96 UGT1A1 (0.69) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8224259 0.95 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL893599 0.94 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL16866221 0.93 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6157358 0.93 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890121-B2 Process for preparing atazanavir sulphate CIPLA LIMITED (IN) 2018-02-13 US disclosed
WO-2017042735-A1 AMORPHOUS FORM OF A HIV PROTEASE INHIBITOR GRANULES INDIA LIMITED (IN) 2017-03-16 WO disclosed
US-20160002166-A1 Process for Preparing Atazanavir Sulphate CIPLA LIMITED (IN) 2016-01-07 US disclosed
US-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
EP-1755596-B1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2015-08-12 EP disclosed
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-07-23 US disclosed
US-20130266648-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8513428-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090076097-A1 DEUTERIUM-ENRICHED ATAZANAVIR PROTIA, LLC (US) 2009-03-19 US disclosed
US-20090076097-A1 DEUTERIUM-ENRICHED ATAZANAVIR PROTIA, LLC (US) 2009-03-19 US disclosed
WO-2009002826-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
EP-1697348-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
WO-2005108349-A2 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-17 WO disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2005061487-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-07-07 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 (8 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-20090076097-A1 DEUTERIUM-ENRICHED ATAZANAVIR SAMHD1, ADAR, APOBEC3A UGT1A1 1398/4885MLNR 3361/4885NR1I2 2115/4885
US-20160002166-A1 Process for Preparing Atazanavir Sulphate SAMHD1, TPMT, ASH2L UGT1A1 277/4885MLNR 1118/4885NR1I2 3800/4885
US-20130266648-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885MLNR 1210/4885NR1I2 3899/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP UGT1A1 2307/4885MLNR 3723/4885NR1I2 3691/4885
US-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885MLNR 1210/4885NR1I2 3899/4885
US-20090203630-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS GTF3C3, PRSS3, GTF3C4 UGT1A1 1255/4885MLNR 3933/4885NR1I2 3857/4885
US-20150202191-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885MLNR 1210/4885NR1I2 3899/4885
US-20090270499-A1 Process for Synthesizing Atazanavir SAMHD1, TYMS, COASY UGT1A1 309/4885MLNR 3692/4885NR1I2 3219/4885

“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.