Saquinavir

Saquinavir

SCHEMBL20451344

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1

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 Saquinavir. 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 6/20 1.00
▸ ABCC4 O15439 2/20 1.00
▸ ABCB11 O95342 2/20 1.00
▸ ABCB1 P08183 2/20 1.00
▸ TACR2 P21452 2/20 1.00
▸ TBXAS1 P24557 2/20 1.00
▸ OPRM1 P35372 2/20 1.00
▸ OPRD1 P41143 2/20 1.00
▸ OPRK1 P41145 2/20 1.00
▸ SLC6A3 Q01959 2/20 1.00
▸ KCNH2 Q12809 2/20 1.00
▸ ABCG2 Q9UNQ0 2/20 1.00
▸ ABCC3 O15438 1/20 1.00
▸ CACNA1F O60840 1/20 1.00
▸ HTR1A P08908 1/20 1.00
▸ DRD2 P14416 1/20 1.00
▸ DRD3 P35462 1/20 1.00
▸ AVPR1A P37288 1/20 1.00
▸ HTR2B P41595 1/20 1.00
▸ CACNA1D Q01668 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
Saquinavir SCHEMBL29534530 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL13953012 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL6881 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL1976548 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL13575784 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL8584252 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL1176566 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL8584255 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL21683360 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2
Saquinavir SCHEMBL29357501 1.00 CYP3A4 (1.00) CYP3A4ABCC4ABCB11ABCB1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240041764-A1 Sustained-Release Oral Fosamprenavir Formulation for Treatment of Reflux N-ZYME BIOMEDICAL INC. (CA) 2024-02-08 — — US disclosed
US-20230218644-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY RESPIRATORY SYNDROME-RELATED CORONAVIRUS EWHA WOMANS UNIVERSITY (KR) 2023-07-13 — — US disclosed
US-20230172846-A1 ORAL DISSOLVABLE FILM AND METHOD OF MANUFACTURING AND USING THE SAME CUREX PHARMACEUTICAL MEXICO S.A.P.I. DE C.V. (MX) 2023-06-08 — — US disclosed
EP-3482762-A1 A SOLID PHARMACEUTICAL DOSAGE FORMULATION COMPRISING LOPINAVIR AbbVie Inc. (US) 2019-05-15 — — EP disclosed
US-20180221406-A1 THERAPEUTIC COMBINATIONS OF ANTIVIRAL AND ANTI-INFLAMMATORY THERAPIES FORESIGHT BIOTHERAPEUTICS, INC. (US) 2018-08-09 — — US disclosed
CN-102260243-B Saquinavir succinic acid half ester salt and its preparation SHENYANG ELIVING MEDICAL TECHNOLOGY CO LTD 2013-08-14 — — CN disclosed
CN-102260243-A Saquinavir succinic acid half ester salt and its preparation — 2011-11-30 — — CN disclosed
CN-1282736-A Method of preparing medicinal active substance derived from quinogold HOFFMANN LA ROCHE (CH) 2001-02-07 — — 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 (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-20180221406-A1 THERAPEUTIC COMBINATIONS OF ANTIVIRAL AND ANTI-INFLAMMATORY THERAPIES EIF2AK2, IRF3, IFNG CYP3A4 825/4885ABCC4 3367/4885ABCB11 3192/4885
US-20230218644-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY RESPIRATORY SYNDROME-RELATED CORONAVIRUS ACE2, ACE, TMPRSS2 CYP3A4 3014/4885ABCC4 3734/4885ABCB11 2499/4885
US-20230172846-A1 ORAL DISSOLVABLE FILM AND METHOD OF MANUFACTURING AND USING THE SAME DSTN, FDFT1, DDHD2 CYP3A4 328/4885ABCC4 3385/4885ABCB11 1183/4885

“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.

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