SCHEMBL895420

SCHEMBL895420

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)[C@@H]1CCCN1)c1ccc(-c2cc3cc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](c4ccccc4)N(C)C)ccc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CMA1 P23946 12/20 0.38
CTRC Q99895 2/20 0.38
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
STAT6 P42226 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL22344929 0.88 CMA1 (0.47) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL895419 0.88 CMA1 (0.47) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL10222777 0.87 KCNH2 (0.46) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL10224165 0.83 KCNH2 (0.47) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL10222681 0.83 KCNH2 (0.57) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL896043 0.83 KCNH2 (0.57) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL896081 0.83 KCNH2 (0.39) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL474880 0.83 KCNH2 (0.40) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL10223093 0.82 KCNH2 (0.52) KCNH2CMA1CTRCCYP3A4CYP2C9
SCHEMBL10224239 0.80 CMA1 (0.49) KCNH2CMA1CTRCCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CMA1 920/4885CTRC 239/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CMA1 920/4885CTRC 239/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 KCNH2 4621/4885CMA1 920/4885CTRC 239/4885

“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.