SCHEMBL12765130

SCHEMBL12765130

O=C(N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL12765143 0.89 — —
SCHEMBL13336989 0.88 CYP3A4 (0.44) CYP3A4ELANEKCNH2CTSS
SCHEMBL12765151 0.85 CYP3A4 (0.36) CYP3A4ELANEKCNH2
SCHEMBL13336902 0.81 ADORA3 (0.41) ADORA3CHRM1TBXA2RPTGS1CTSS
SCHEMBL12765136 0.81 CFD (0.41) —
SCHEMBL12725995 0.81 CYP3A4 (0.45) CYP3A4ELANEKCNH2
SCHEMBL13336771 0.81 CYP3A4 (0.50) CYP3A4ELANEKCNH2
SCHEMBL7936165 0.80 CYP3A4 (0.48) CYP3A4ELANEKCNH2
SCHEMBL13336996 0.79 CYP3A4 (0.36) CYP3A4ELANEKCNH2CTSS
SCHEMBL7947119 0.79 CYP3A4 (0.47) CYP3A4ELANEKCNH2

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 3 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-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 (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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 CYP3A4 4436/4885ELANE 365/4885KCNH2 4628/4885

“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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