SCHEMBL15260448

SCHEMBL15260448

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2)[nH]1)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.79
CYP2C9 P11712 6/20 0.79
KCNH2 Q12809 3/20 0.79
NR1I2 O75469 2/20 0.79
ABCB11 O95342 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 2/20 0.70

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
SCHEMBL15277183 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL9912082 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15944559 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL22096165 1.00 CYP3A4 (0.79) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15260697 0.99 CYP3A4 (0.77) CYP3A4CYP2C9KCNH2NR1I2ABCB11
Hydrochloric Acid SCHEMBL18035153 0.99 CYP3A4 (0.77) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15274560 0.99 CYP3A4 (0.77) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17329163 0.97 CYP3A4 (0.74) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18035121 0.97 CYP3A4 (0.74) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18035122 0.97 CYP3A4 (0.74) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032718-A1 CRYSTAL FORM OF HEPATITIS C INHIBITOR AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2024-02-15 WO claimed
US-12274700-B1 Methods of treating symptoms of coronavirus infection with RNA polymerase inhibitors Accencio LLC (US) 2025-04-15 US disclosed
CN-117586329-A Crystalline forms of hepatitis c inhibitors and their use in medicine 广东东阳光药业股份有限公司 2024-02-23 CN disclosed
WO-2024032718-A1 CRYSTAL FORM OF HEPATITIS C INHIBITOR AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2024-02-15 WO disclosed
CN-114957366-B 1, 3-diacetylene lead compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2023-11-10 CN disclosed
CN-110382514-B Prodrugs of HCV NS5B polymerase inhibitors and methods of making and using the same 亚历山大·瓦西里耶维奇·伊瓦切恩科 2023-06-02 CN disclosed
US-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof Ivachtchenko Alexandrovna Alena (US) 2023-01-19 US disclosed
EP-3978503-A1 ANNELATED 9-HYDROXY-1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-7-CARBOXAMIDES AS HIV INTEGRASE INHIBITORS Ivachtchenko, Alena Alexandrovna (US) 2022-04-06 EP disclosed
US-10683315-B2 Prodrug of an HCV NS5B polymerase inhibitor and method of production and application thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2020-06-16 US disclosed
EP-2808325-B1 Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof ALLA CHEM LLC (US) 2017-10-25 EP disclosed
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-03-09 US disclosed
US-9428491-B2 Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof ALLA CHEM LLC 2016-08-30 US disclosed
US-9428491-B2 Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof ALLA CHEM LLC 2016-08-30 US disclosed
US-9428491-B2 Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof ALLA CHEM LLC 2016-08-30 US disclosed
US-20160031859-A1 Alkyl [(S)-1-((S)-2--buta-1,3-diynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamate naphthalene-1,5-disulfonate, pharmaceutical composition, medicament, method for treatment of viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (US) 2016-02-04 US disclosed
EP-2955177-A2 ALKYL [(S)-1-((S)-2-{5-[4-(4-{2-[(S)-1-((S)-2-METHOXYCARBONYLAMINO-3-METHYL-BUTYRYL)-PYRROLIDINE-2-YL]-3H-IMIDAZOLE-4-YL}-BUTA-1,3-DIENYL)-PHENYL]-1H-IMIDAZOLE-2-YL}-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-CARBAMATE NAPHTHALENE-1,5-DISULFONATE, PHARMACEUTICAL COMPOSITION, MEDICINAL AGENT AND METHOD FOR TREATMENT OF VIRAL DISEASES Ivachtchenko, Alexandre Vasilievich (RU) 2015-12-16 EP disclosed
EP-2808325-A1 Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof Alla Chem, LLC. (US) 2014-12-03 EP disclosed
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 EP disclosed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 US 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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 CYP3A4 20/4885CYP2C9 51/4885KCNH2 3164/4885
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods POLR2A, GTF3C1, SSU72 CYP3A4 2186/4885CYP2C9 3009/4885KCNH2 3185/4885
US-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof CDK9, DPYD, INTS9 CYP3A4 31/4885CYP2C9 165/4885KCNH2 459/4885
US-12274700-B1 Methods of treating symptoms of coronavirus infection with RNA polymerase inhibitors ACE, SARS1, EIF2AK2 CYP3A4 3314/4885CYP2C9 3888/4885KCNH2 1044/4885
US-20160031859-A1 Alkyl [(S)-1-((S)-2--buta-1,3-diynyl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamate naphthalene-1,5-disulfonate, pharmaceutical composition, medicament, method for treatment of viral diseases CPS1, CES1, GOT1 CYP3A4 1749/4885CYP2C9 2185/4885KCNH2 1797/4885
US-10683315-B2 Prodrug of an HCV NS5B polymerase inhibitor and method of production and application thereof PNP, CYP7A1, UGT1A1 CYP3A4 67/4885CYP2C9 36/4885KCNH2 4118/4885

“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.