SCHEMBL794553

SCHEMBL794553

CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)O)C(C)C)cs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.75
CYP2D6 P10635 6/20 0.75
CYP2C9 P11712 3/20 0.75
CYP2C19 P33261 3/20 0.75
MEN1 O00255 1/20 0.75
SLC22A2 O15244 1/20 0.75
SLC22A1 O15245 1/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
MLNR O43193 1/20 0.75
NR1I2 O75469 1/20 0.75
SLCO2B1 O94956 1/20 0.75
ABCB11 O95342 1/20 0.75
ALDH1A1 P00352 1/20 0.75
PGR P06401 1/20 0.75
ABCB1 P08183 1/20 0.75
HTR1A P08908 1/20 0.75
ADRA2A P08913 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
MAPT P10636 1/20 0.75

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
SCHEMBL3716311 1.00 CYP3A4 (0.75) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL3304792 1.00 CYP3A4 (0.75) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL8269408 0.97 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2913540 0.97 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13748639 0.89 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13749205 0.89 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL3039096 0.89 CYP3A4 (0.71) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2916535 0.88 CYP3A4 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL7091785 0.87 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2736324 0.87 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240903-A2 Combination of calcium (3S) tetrahydro-3-furanyl(1S,2R)-3- [[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phosphonooxy) propylcarbamate with ritonavir GLAXO GROUP LIMITED (GB) 2002-09-18 EP claimed
US-20240148729-A1 LOPINAVIR AND RITONAVIR FOR THE TREATMENT OF CERVIX DISORDERS DOUGLAS PHARMACEUTICALS LIMITED (NZ) 2024-05-09 US disclosed
WO-2024050019-A2 PROCESSES FOR PREPARING SOLID STATE FORMS VARDA SPACE INDUSTRIES, INC. (US) 2024-03-07 WO disclosed
US-11045423-B2 Anti-retroviral compositions HETERO LABS LIMITED (IN) 2021-06-29 US disclosed
US-20190175508-A1 ANTI-RETROVIRAL COMPOSITIONS HETERO LABS LIMITED (IN) 2019-06-13 US disclosed
US-20190175509-A1 High Drug Loaded Tablet Composition for Treating HIV HETERO LABS LIMITED (IN) 2019-06-13 US disclosed
WO-2019046287-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING OR PREVENTING HEPATITIS B ARBUTUS BIOPHARMA CORPORATION (CA) 2019-03-07 WO disclosed
WO-2015125082-A1 IMPROVED PROCESS FOR THE PREPARATION OF RITONAVIR MYLAN LABORATORIES LIMITED (IN) 2015-08-27 WO disclosed
EP-2819668-A1 RITONAVIR COMPOSITIONS Hetero Research Foundation (IN) 2015-01-07 EP disclosed
WO-2014184553-A1 PHARMACEUTICAL ANTIRETROVIRAL COMPOSITIONS CIPLA LIMITED (IN) 2014-11-20 WO disclosed
WO-2001082919-A2 METHODS OF AND COMPOUNDS FOR INHIBITING CALPAINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-11-08 WO disclosed
EP-1098898-A1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3- (4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2001-05-16 EP disclosed
WO-2001000635-A2 DERIVATIVES OF (3S) TETRAHYDRO-3-FURANYL (1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-(PHOSPHONOOXY)PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2001-01-04 WO disclosed
EP-1019056-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
EP-0979082-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 2000-02-16 EP disclosed
WO-2000004033-A1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2000-01-27 WO disclosed
EP-0906107-A1 COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR SUCH AS VX 478 AND A WATER SOLUBLE VITAMIN E COMPOUND SUCH AS VITAMIN E-TPGS GLAXO GROUP LIMITED (GB) 1999-04-07 EP disclosed
WO-1998052570-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 1998-11-26 WO disclosed
WO-1998052571-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 1998-11-26 WO disclosed
WO-1997035587-A1 COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR SUCH AS VX 478 AND A WATER SOLUBLE VITAMIN E COMPOUND SUCH AS VITAMIN E-TPGS GLAXO GROUP LIMITED (GB) 1997-10-02 WO disclosed