Ritonavir

Ritonavir

SCHEMBL17787453

CC(C)c1nc(CN(C)C(=O)NC(C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP3A4CYP3A43CYP3A5CYP3A7pol

The experimentally established mechanism targets of Ritonavir. 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 known ✓ P08684 20/20 1.00
▸ CYP3A5 known ✓ P20815 1/20 1.00
▸ CYP3A7 known ✓ P24462 1/20 1.00
▸ CYP3A43 known ✓ Q9HB55 1/20 1.00
▸ CYP2D6 P10635 6/20 1.00
▸ CYP2C19 P33261 3/20 1.00
▸ CYP2C9 P11712 3/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ SLC22A2 O15244 1/20 1.00
▸ SLC22A1 O15245 1/20 1.00
▸ ABCC3 O15438 1/20 1.00
▸ ABCC4 O15439 1/20 1.00
▸ MLNR O43193 1/20 1.00
▸ NR1I2 O75469 1/20 1.00
▸ SLCO2B1 O94956 1/20 1.00
▸ ABCB11 O95342 1/20 1.00
▸ ALDH1A1 P00352 1/20 1.00
▸ PGR P06401 1/20 1.00
▸ ABCB1 P08183 1/20 1.00
▸ HTR1A P08908 1/20 1.00

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
Ritonavir SCHEMBL7806137 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL1560720 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL825767 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL12175481 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL24777041 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL20322359 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL23927481 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL6679 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL3178401 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
Ritonavir SCHEMBL20257193 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C19CYP2C9MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010885-A1 COMPOSITION FOR INTERMITTENT DOSING OF CALCINEURIN INHIBITORS KLEE TREVOR (US) 2024-01-11 — — WO disclosed
US-20230381141-A1 CONJOINT THERAPIES FOR TREATING VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-30 — — US disclosed
US-20230270677-A1 LONG-ACTING THERAPEUTIC AGENT COMBINATIONS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2023-08-31 — — US disclosed
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — US disclosed
US-11052154-B2 Ras protein degradation inducing molecule and pharmaceutical composition TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-07-06 — — US disclosed
US-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same LABORATORY SKIN CARE, INC. (US) 2020-09-01 — — US disclosed
US-9956260-B1 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2018-05-01 — — US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 — — US disclosed
US-9370578-B2 Dosage form comprising lopinavir and ritonavir RATIOPHARM GMBH (DE) 2016-06-21 — — US disclosed
US-9352010-B2 Treatment of HIV-1 infection and AIDS THE J. DAVID GLADSTONE INSTITUTES (US) 2016-05-31 — — US disclosed
CN-101361723-B Improved pharmaceutical compositions ABBOTT LAB 2013-11-06 — — CN disclosed
CN-101361723-A Improved pharmaceutical compositions ABBOTT LAB (US) 2009-02-11 — — CN 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CYP3A4 30/4885CYP3A5 77/4885CYP3A7 2/4885
US-11052154-B2 Ras protein degradation inducing molecule and pharmaceutical composition KRAS, G3BP1, NRAS CYP3A4 2666/4885CYP3A5 2341/4885CYP3A7 2350/4885
US-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same CHERP, ORAI1, CA2 CYP3A4 4251/4885CYP3A5 4764/4885CYP3A7 4156/4885
US-20230381141-A1 CONJOINT THERAPIES FOR TREATING VIRAL INFECTIONS HAVCR2, ACE, FAP CYP3A4 3781/4885CYP3A5 3394/4885CYP3A7 4126/4885
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, SARS1 CYP3A4 195/4885CYP3A5 180/4885CYP3A7 395/4885
US-20230270677-A1 LONG-ACTING THERAPEUTIC AGENT COMBINATIONS AND METHODS THEREOF VEGFA, ADAR, EIF2AK2 CYP3A4 2418/4885CYP3A5 1737/4885CYP3A7 2099/4885

“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.

Send feedback