SCHEMBL894917

SCHEMBL894917

COC(=O)c1c(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)[nH]c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
CYP2C9 P11712 6/20 0.56
CYP2C19 P33261 6/20 0.56
CYP3A4 P08684 5/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 2/20 0.56
CMA1 P23946 7/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTRC Q99895 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
JAK3 P52333 1/20 0.38

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
SCHEMBL16290821 1.00 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL20952514 1.00 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL20952254 0.94 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL475258 0.94 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16291124 0.94 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL475256 0.94 KCNH2 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL24732245 0.93 KCNH2 (0.60) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL10223689 0.92 KCNH2 (0.58) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL10222828 0.91 KCNH2 (0.58) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16199243 0.91 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427729-A Inhibitors of hepatitis c virus replication MERCK SHARP & DOHME 2012-04-25 CN claimed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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 (7 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CYP2C9 2551/4885CYP2C19 3129/4885

“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.