SCHEMBL13059155

SCHEMBL13059155

[2H]C([2H])([2H])N(C([2H])([2H])[2H])S(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@H]1C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CTSB P07858 1/20 0.32
▸ REN P00797 1/20 0.30

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
SCHEMBL10019410 0.96 ADRB3 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL8278976 0.96 ADRB3 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13610633 0.93 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3974761 0.93 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3974767 0.93 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11984228 0.92 ADRB3 (0.40) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3968245 0.92 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL8278134 0.92 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13564310 0.92 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL11983991 0.92 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB

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-20140154182-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND STICHTING VU-VUMC (NL) 2014-06-05 — — US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — 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 (4 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885ADRB3 4572/4885ADRA2B 4492/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885ADRB3 4572/4885ADRA2B 4492/4885
US-20140154182-A1 N,N-SUBSTITUTED GUANIDINE COMPOUND PRMT3, NR4A3, GFRA3 CYP3A4 2280/4885ADRB3 69/4885ADRA2B 409/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CYP3A4 755/4885ADRB3 4531/4885ADRA2B 4489/4885

“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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