SCHEMBL6785

SCHEMBL6785

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.81
MLNR O43193 1/20 0.81
NR1I2 O75469 1/20 0.81
SLCO2B1 O94956 1/20 0.81
ABCB11 O95342 1/20 0.81
ABCB1 P08183 1/20 0.81
CCKAR P32238 1/20 0.81
OPRK1 P41145 1/20 0.81
GHSR Q92847 1/20 0.81
SLCO1B3 Q9NPD5 1/20 0.81
ABCG2 Q9UNQ0 1/20 0.81
SLCO1B1 Q9Y6L6 1/20 0.81
KCNH2 Q12809 1/20 0.63
CYP3A4 P08684 3/20 0.58
CTSD P07339 3/20 0.58
PSEN1 P49768 7/20 0.40
PSEN2 P49810 7/20 0.40
APH1B Q8WW43 7/20 0.40
NCSTN Q92542 7/20 0.40
APH1A Q96BI3 7/20 0.40

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
Hydrochloric Acid SCHEMBL6668 0.99 UGT1A1 (0.80) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL13315150 0.95 UGT1A1 (0.74) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8232164 0.92 UGT1A1 (0.69) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL16250687 0.90 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7404665 0.90 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7404668 0.90 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7547851 0.90 UGT1A1 (0.65) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL20629937 0.90 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL22847477 0.90 UGT1A1 (1.00) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Atazanavir SCHEMBL7993264 0.90 UGT1A1 (1.00) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343290-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2014-11-20 US disclosed
US-20140343290-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2014-11-20 US disclosed
WO-2013014633-A1 PROCESS FOR PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2013-01-31 WO disclosed
WO-2013014633-A1 PROCESS FOR PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2013-01-31 WO disclosed
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6300519-B1 REACTING HYDRAZINE DERIVATIVE WITH EPOXIDE COMPOUND NOVARTIS FINANCE CORPORATION 2001-10-09 US disclosed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US disclosed
US-6110946-A AN ENZYME INHIBITORS OF RETROVIRAL ASPARTATE PROTEASE FOR THE TREATMENT OF AIDS NOVARTIS FINANCE CORPORATION (US) 2000-08-29 US disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 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 (1 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-20140343290-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT DNPEP, NSUN2, JMJD7 UGT1A1 1373/4885MLNR 3847/4885NR1I2 2588/4885

“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.