Sugi Predict

Sugi Predict / Compounds / SCHEMBL2177873

SCHEMBL2177873

SCHEMBL2177873

N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT1A1 P22309 3/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ MLNR O43193 1/20 0.43
▸ SLCO2B1 O94956 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ GHSR Q92847 1/20 0.43
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ KCNH2 Q12809 2/20 0.38
▸ CSNK1E P49674 1/20 0.37
▸ GPR88 Q9GZN0 1/20 0.36
▸ TPH1 P17752 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ LAP3 P28838 1/20 0.36

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
SCHEMBL8152590 1.00 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL3393562 1.00 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL1300940 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL30018372 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL6156798 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL2625153 0.89 DPP4 (0.40) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL12595652 0.87 UGT1A1 (0.45) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL17635679 0.87 CYP2D6 (0.56) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL17635682 0.85 UGT1A1 (0.49) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL13699920 0.84 UGT1A1 (0.39) UGT1A1OPRK1NR1I2MLNRSLCO2B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125875-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
EP-2956439-B1 PROCESS FOR PREPARING ATAZANAVIR SULPHATE CIPLA LTD (IN) 2019-01-09 — — EP disclosed
US-9890121-B2 Process for preparing atazanavir sulphate CIPLA LIMITED (IN) 2018-02-13 — — US disclosed
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
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 — — EP disclosed
US-20160002166-A1 Process for Preparing Atazanavir Sulphate CIPLA LIMITED (IN) 2016-01-07 — — US 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
US-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — 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-2009002829-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 — — WO disclosed
WO-2009002826-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 — — WO disclosed
WO-2008011116-A2 AZA-PEPTIDE PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 — — WO disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 1398/4885OPRK1 2801/4885NR1I2 2115/4885
US-20190125875-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT ACIN1, SAMHD1, ARSA UGT1A1 2092/4885OPRK1 3056/4885NR1I2 3993/4885
US-20160002166-A1 Process for Preparing Atazanavir Sulphate SAMHD1, TPMT, ASH2L UGT1A1 277/4885OPRK1 3646/4885NR1I2 3800/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP UGT1A1 2307/4885OPRK1 3075/4885NR1I2 3691/4885
US-20150320731-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 UGT1A1 970/4885OPRK1 1962/4885NR1I2 3899/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD UGT1A1 3224/4885OPRK1 4631/4885NR1I2 2957/4885

“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.