SCHEMBL8162986

SCHEMBL8162986

CC(C)(C)OC(=O)NC(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
SCHEMBL30018952 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2175950 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382207-B2 Process for the preparation of atazanavir bisulfate LAURUS LABS PRIVATE LIMITED (IN) 2016-07-05 US disclosed
EP-2522367-B1 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2016-01-20 EP disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
US-9095620-B2 Reagents NEKTAR THERAPEUTICS (US) 2015-08-04 US disclosed
US-20150183742-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR BISULFATE LAURUS LABS LIMITED (IN) 2015-07-02 US disclosed
EP-2262538-B1 OLIGOMER-AMINO ACID CONJUGATE NEKTAR THERAPEUTICS (US) 2014-12-10 EP disclosed
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-02-13 US disclosed
EP-2522367-A1 Oligomer-protease inhibitor conjugates Nektar Therapeutics (US) 2012-11-14 EP disclosed
US-20100184989-A1 De Novo Synthesis of Conjugates NEKTAR THERAPEUTICS (US) 2010-07-22 US disclosed
WO-2008112286-A9 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS AL CORP (US) 2008-12-18 WO disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 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 (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-20100184989-A1 De Novo Synthesis of Conjugates ABCG2, UGT1A8, SLC7A5 UGT1A1 7/4885MLNR 367/4885NR1I2 2182/4885
US-20150183742-A1 PROCESS FOR THE PREPARATION OF ATAZANAVIR BISULFATE SAMHD1, CYP3A4, APOBEC3C UGT1A1 76/4885MLNR 3471/4885NR1I2 3470/4885
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES DNPEP, ADAM17, SERPINB1 UGT1A1 650/4885MLNR 302/4885NR1I2 2438/4885

“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.