SCHEMBL2624141

SCHEMBL2624141

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(C(C)C)nc2c1C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ CYP3A4 P08684 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSB P07858 1/20 0.39
▸ PDE4B Q07343 2/20 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
SCHEMBL7866072 0.94 CTSS (0.61) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6875218 0.93 ADRB3 (0.57) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL10060798 0.93 ADRB3 (0.57) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6880425 0.93 ADRB3 (0.56) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL16508689 0.93 ADRB3 (0.56) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6876461 0.93 ADRB3 (0.56) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6877299 0.93 ADRB3 (0.56) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6880412 0.91 ADRB3 (0.55) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL6877886 0.91 ADRB3 (0.55) ADRB3ADRA2BADRA2CCYP3A4CTSS
SCHEMBL10157231 0.91 ADRB3 (0.68) ADRB3ADRA2BADRA2CCYP3A4CTSS

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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 — — US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 — — US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 — — 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ADRB3 3929/4885ADRA2B 3554/4885ADRA2C 2931/4885

“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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