Lopinavir

Lopinavir

SCHEMBL673770

Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Lopinavir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
ABCC3 O15438 1/20 1.00
ABCC4 O15439 1/20 1.00
ABCB11 O95342 1/20 1.00
PGR P06401 1/20 1.00
ABCB1 P08183 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
CHRM1 P11229 1/20 1.00
TBXA2R P21731 1/20 1.00
ADRA1A P35348 1/20 1.00
OPRM1 P35372 1/20 1.00
HTR2B P41595 1/20 1.00
KCNH2 Q12809 1/20 1.00
SCN5A Q14524 1/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
CA2 P00918 1/20 0.40
CTSD P07339 4/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
Lopinavir SCHEMBL825826 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL28365789 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL13065521 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL21775 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL18898529 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL3042268 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL13370718 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL22241592 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL22382744 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR
Lopinavir SCHEMBL12270816 1.00 CYP3A4 (1.00) CYP3A4ABCC3ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864369-B2 New crystal structure of lopinavir; enzyme inhibitors of human immunodeficiency virus (HIV) protease for treating HIV infections ABBOTT LABORATORIES (US) 2005-03-08 US claimed
US-6608198-B2 Hydrated forms of lopinavir; HIV protease inhibitor ABBOTT LABORATORIES 2003-08-19 US claimed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
US-11980613-B2 Methods for reversing HIV latency using BAF complex modulating compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-05-14 US disclosed
US-11807852-B2 Compositions and methods for reactivating latent immunodeficiency virus THE J. DAVID GLADSTONE INSTITUTES (US) 2023-11-07 US disclosed
US-20230270677-A1 LONG-ACTING THERAPEUTIC AGENT COMBINATIONS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2023-08-31 US disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
WO-2023088358-A1 TREATMENT OF CANCER WITH A GLUCOCORTICOID RECEPTOR AGONIST AND AN HIV PROTEASE INHIBITOR Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
US-11590110-B2 Compositions and methods for reactivating latent immunodeficiency virus using a GSK-3 inhibitor THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2023-02-28 US disclosed
US-20220364119-A1 COMPOSITIONS AND METHODS FOR TREATING AN IMMUNODEFICIENCY VIRUS INFECTION WITH A THERAPEUTIC INTERFERING PARTICLE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-17 US disclosed
US-20220193209-A1 COMPOSITIONS AND METHODS FOR REACTIVATING LATENT IMMUNODEFICIENCY VIRUS AND/OR TREATING IMMUNODEFICIENCY VIRUS INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 US disclosed
US-8058433-B2 Crystalline pharmaceutical ABBOTT LABORATORIES (US) 2011-11-15 US disclosed
US-20070027172-A1 Crystalline pharmaceutical ABBOTT LABORATORIES 2007-02-01 US disclosed
US-20050124810-A1 Purity; hydrate forms DICKMAN DANIEL A (US) 2005-06-09 US disclosed
US-6864369-B2 New crystal structure of lopinavir; enzyme inhibitors of human immunodeficiency virus (HIV) protease for treating HIV infections ABBOTT LABORATORIES (US) 2005-03-08 US disclosed
US-20030191313-A1 New crystal structure of lopinavir; enzyme inhibitors of human immunodeficiency virus (HIV) protease for treating HIV infections ABBVIE INC. 2003-10-09 US disclosed
US-6608198-B2 Hydrated forms of lopinavir; HIV protease inhibitor ABBOTT LABORATORIES 2003-08-19 US disclosed
EP-1268442-A2 CRYSTALLINE PHARMACEUTICAL Abbott Laboratories (US) 2003-01-02 EP disclosed
US-20010051721-A1 Hydrated forms of lopinavir; HIV protease inhibitor ABBVIE INC. 2001-12-13 US disclosed
WO-2001074787-A2 CRYSTALLINE PHARMACEUTICAL ABBOTT LABORATORIES (US) 2001-10-11 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 (10 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-20050124810-A1 Purity; hydrate forms SAMHD1, ACE, CYP3A4 CYP3A4 3/4885ABCC3 173/4885ABCC4 127/4885
US-11807852-B2 Compositions and methods for reactivating latent immunodeficiency virus NSUN2, IRF3, DNMT3B CYP3A4 4068/4885ABCC3 3910/4885ABCC4 4161/4885
US-20010051721-A1 Hydrated forms of lopinavir; HIV protease inhibitor SERPINB1, HPN, ACE CYP3A4 59/4885ABCC3 260/4885ABCC4 331/4885
US-20220193209-A1 COMPOSITIONS AND METHODS FOR REACTIVATING LATENT IMMUNODEFICIENCY VIRUS AND/OR TREATING IMMUNODEFICIENCY VIRUS INFECTION HAVCR2, CD4, MAVS CYP3A4 3109/4885ABCC3 3470/4885ABCC4 3842/4885
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP CYP3A4 4113/4885ABCC3 3183/4885ABCC4 3709/4885
US-11980613-B2 Methods for reversing HIV latency using BAF complex modulating compounds CHD1L, SMARCC1, CHD1 CYP3A4 4332/4885ABCC3 2158/4885ABCC4 1913/4885
US-11590110-B2 Compositions and methods for reactivating latent immunodeficiency virus using a GSK-3 inhibitor GSK3B, GSK3A, GSKIP CYP3A4 2605/4885ABCC3 4418/4885ABCC4 4871/4885
US-20070027172-A1 Crystalline pharmaceutical PYGL, ACE, HDLBP CYP3A4 21/4885ABCC3 112/4885ABCC4 133/4885
US-20030191313-A1 New crystal structure of lopinavir; enzyme inhibitors of human immunodeficiency virus (HIV) protease for treating HIV infections SERPINB1, ACE, PEPD CYP3A4 118/4885ABCC3 1192/4885ABCC4 1228/4885
US-20230270677-A1 LONG-ACTING THERAPEUTIC AGENT COMBINATIONS AND METHODS THEREOF VEGFA, ADAR, EIF2AK2 CYP3A4 2418/4885ABCC3 2512/4885ABCC4 2892/4885

“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.