SCHEMBL8179857

SCHEMBL8179857

CC(C)(C)OC(=O)N[C@H]1CCCCCCC[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ RAMP1 O60894 3/20 0.33
▸ CALCRL Q16602 3/20 0.33
▸ SCN9A Q15858 4/20 0.32
▸ REN P00797 1/20 0.31

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
SCHEMBL3375539 1.00 DDB1 (0.36) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13757915 0.95 DDB1 (0.36) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL3375346 0.95 DDB1 (0.36) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13435737 0.94 DDB1 (0.37) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798458 0.93 DDB1 (0.34) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798452 0.93 DDB1 (0.34) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798448 0.93 DDB1 (0.34) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798450 0.92 DDB1 (0.35) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798318 0.92 DDB1 (0.34) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL13798426 0.91 DDB1 (0.33) DDB1CRBNADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — 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 (3 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 DDB1 144/4885CRBN 2720/4885ADRB3 4323/4885
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS DDB1 499/4885CRBN 1884/4885ADRB3 4329/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DDB1 144/4885CRBN 2720/4885ADRB3 4323/4885

“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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