SCHEMBL1636580

SCHEMBL1636580

CCC1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CYP3A4 P08684 2/20 0.37
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35

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
SCHEMBL3685793 1.00 CTSS (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13336904 1.00 CTSS (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL1636582 1.00 CTSS (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL7936511 1.00 CTSS (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13336980 0.93 ADORA3 (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL8124589 0.92 ADORA3 (0.42) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13336979 0.90 CTSS (0.36) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL13336989 0.90 CYP3A4 (0.44) CTSSCYP3A4
SCHEMBL3756681 0.89 ADORA3 (0.40) CTSSADORA3CHRM1TBXA2RPTGS1
SCHEMBL3756690 0.89 ADORA3 (0.40) CTSSADORA3CHRM1TBXA2RPTGS1

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-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 — — US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 — — EP disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 — — US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 — — WO 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 CTSS 710/4885ADORA3 4683/4885CHRM1 4805/4885

“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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