SCHEMBL12725995

SCHEMBL12725995

CC(C)[C@H](Nc1cccc(C(C)(C)C)c1)C(=O)N1C[C@H](OC(=O)N2Cc3cccc(Cl)c3C2)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ ELANE P08246 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL12725955 0.92 CYP3A4 (0.38) CYP3A4
SCHEMBL12725935 0.91 CYP3A4 (0.43) CYP3A4
SCHEMBL13365198 0.91 CYP3A4 (0.43) CYP3A4
SCHEMBL7936165 0.90 CYP3A4 (0.48) CYP3A4ELANEKCNH2
SCHEMBL12725982 0.88 CYP3A4 (0.37) CYP3A4ELANEKCNH2
SCHEMBL13336771 0.88 CYP3A4 (0.50) CYP3A4ELANEKCNH2
SCHEMBL12725980 0.88 CYP3A4 (0.37) CYP3A4
SCHEMBL12765165 0.88 CYP3A4 (0.37) CYP3A4
SCHEMBL12725954 0.86 ADORA3 (0.38) CYP3A4
SCHEMBL12765250 0.86 ADORA3 (0.38) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 — — US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 — — US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 — — US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 — — 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 (2 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 CYP3A4 4436/4885ELANE 365/4885KCNH2 4628/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS CYP3A4 3754/4885ELANE 382/4885KCNH2 4764/4885

“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.

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