SCHEMBL10224239

SCHEMBL10224239

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cc3cc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.49
CTRC Q99895 2/20 0.48
HDAC8 Q9BY41 1/20 0.46
ELANE P08246 1/20 0.46
KCNH2 Q12809 2/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
OPRK1 P41145 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL20952290 0.97 CMA1 (0.49) CMA1CTRCHDAC8ELANEKCNH2
SCHEMBL474974 0.97 CMA1 (0.49) CMA1CTRCHDAC8ELANEKCNH2
SCHEMBL16309212 0.92 KCNH2 (0.52) CMA1CTRCELANEKCNH2CYP3A4
SCHEMBL894751 0.92 CMA1 (0.45) CMA1CTRCHDAC8ELANEKCNH2
SCHEMBL894752 0.92 CMA1 (0.45) CMA1CTRCHDAC8ELANEKCNH2
SCHEMBL895419 0.91 CMA1 (0.47) CMA1CTRCELANEKCNH2CYP3A4
SCHEMBL22344929 0.91 CMA1 (0.47) CMA1CTRCELANEKCNH2CYP3A4
SCHEMBL24731172 0.88 KCNH2 (0.51) CMA1CTRCELANEKCNH2CYP3A4
SCHEMBL16309214 0.88 KCNH2 (0.51) CMA1CTRCELANEKCNH2CYP3A4
SCHEMBL20966433 0.87 KCNH2 (0.46) CMA1CTRCELANEKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 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-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 (5 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CMA1 920/4885CTRC 239/4885HDAC8 1640/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CMA1 920/4885CTRC 239/4885HDAC8 1640/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CMA1 920/4885CTRC 239/4885HDAC8 1640/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CMA1 920/4885CTRC 239/4885HDAC8 1640/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CMA1 920/4885CTRC 239/4885HDAC8 1640/4885

“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.