SCHEMBL896123

SCHEMBL896123

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](c4ccccc4)N(C(=O)O)C(C)(C)C)cc3)cc2c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
CYP3A4 P08684 5/20 0.51
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CMA1 P23946 7/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTRC Q99895 4/20 0.37
JAK2 O60674 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL895178 0.94 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL895177 0.94 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10222681 0.93 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL896043 0.93 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10224155 0.93 KCNH2 (0.63) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL895499 0.92 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL16188365 0.91 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10223814 0.91 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL20952455 0.91 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10223646 0.91 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US claimed
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 (1 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 KCNH2 4621/4885CYP3A4 1646/4885CYP2C9 2551/4885

“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.