Simeprevir

Simeprevir

SCHEMBL826061

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 1.00
▸ CTSB P07858 1/20 0.66
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46

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
Simeprevir SCHEMBL2229194 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL18539068 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL6876363 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL829744 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL25465130 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL12445256 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL25465866 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL18537915 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL18697017 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C
Simeprevir SCHEMBL1070885 1.00 CTSS (1.00) CTSSCTSBADRB3ADRA2BADRA2C

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

Appears in 2045 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12629363-B2 Prophylaxis and treatment of angioedema PHARVARIS GMBH (CH) 2026-05-19 — — US claimed
CN-122028940-A PI4K inhibitor and application thereof 清华大学 2026-05-12 — — CN claimed
EP-4255391-B1 LUMINOL FOR USE IN THE TREATMENT OF SEQUELAE OF A SARS-COV-2 INFECTION METRIOPHARM AG (CH) 2026-05-06 — — EP claimed
WO-2026086804-A1 MULTILAYER-REGULATED GENE EDITING SYSTEM AND USE THEREOF 自如基因科技(深圳)有限公司 2026-04-30 — — WO claimed
EP-3790536-B1 NANOCONTAINERS FOR TRANSPORTING NONPOLAR, LIPOPHILIC SUBSTANCES SUCH AS ANTIBIOTICS KARLSRUHER INST TECHNOLOGIE (DE) 2026-04-22 — — EP claimed
US-20260103504-A1 Chimeric Antigen Receptor Polypeptides and Methods of Using Same UNIV LELAND STANFORD JUNIOR (US) 2026-04-16 — — US claimed
US-20260102422-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO UNIV EMORY (US) 2026-04-16 — — US claimed
EP-4719428-A1 METHOD OF TREATING HEPATITIS C VIRUS IN PATIENTS Altesa Biosciences, Inc. (US) 2026-04-08 — — EP claimed
US-20260078164-A1 Regulatable Cell Surface Receptors and Related Compositions and Methods UNIV LELAND STANFORD JUNIOR (US) 2026-03-19 — — US claimed
US-20260069593-A1 METHODS FOR TREATING CANCER AMGEN INC (US) 2026-03-12 — — US claimed
US-20220090040-A1 Fusion Constructs for Controlling Protein Function SENTI BIOSCIENCES, INC. (US) 2022-03-24 — — US claimed
EP-3426250-B1 TREATING A PATIENT WITH A CYP3A4 SUBSTRATE DRUG CONTRAINDICATED FOR CONCOMITANT ADMINISTRATION WITH A STRONG CYP3A4 INHIBITOR Bow River LLC (US) 2022-03-23 — — EP claimed
EP-3969037-A2 REGULATED SYNTHETIC GENE EXPRESSION SYSTEMS Trustees of Boston University (US) 2022-03-23 — — EP claimed
EP-3963087-A1 IDENTIFICATION AND ANALYSIS OF MICROBIAL SAMPLES BY RAPID INCUBATION AND NUCLEIC ACID ENRICHMENT Illumina Inc (US) 2022-03-09 — — EP claimed
WO-2022047047-A1 INHALABLE THERAPEUTIC AGENTS CILA THERAPEUTIC INC. (US) 2022-03-03 — — WO claimed
US-20220054495-A1 COMPOSITIONS AND METHODS FOR ENHANCED DELIVERY OF ANTIVIRAL AGENTS Poviva Corp. (US) 2022-02-24 — — US claimed
EP-3952841-A1 DRUG ADSORBED HIGHLY POROUS ACTIVATED CARBON FOR ENHANCED DRUG DELIVERY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-02-16 — — EP claimed
WO-2022031761-A2 TARGETED DELIVERY OF THERAPEUTIC AGENTS SEPELO THERAPEUTICS, LLC (US) 2022-02-10 — — WO claimed
WO-2022029334-A1 COMBINATION THERAPIES FOR TREATING CORONAVIRUS INFECTION GBIOTECH S.À.R.L. (CH) 2022-02-10 — — WO claimed
EP-3947432-A1 CHIMERIC ANTIGEN RECEPTOR (CAR) MODULATION Trustees of Boston University (US) 2022-02-09 — — EP claimed
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