SCHEMBL10157227

SCHEMBL10157227

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Oc3cc(C(C)C)nc4c(C)c(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.61
▸ ADRA2B P18089 1/20 0.61
▸ ADRA2C P18825 1/20 0.61
▸ CTSS P25774 1/20 0.46
▸ CYP3A4 P08684 2/20 0.41
▸ CTSB P07858 2/20 0.34
▸ PDE4B Q07343 5/20 0.33
▸ PPP3CB P16298 1/20 0.31
▸ PDE4A P27815 2/20 0.30
▸ PDE4C Q08493 2/20 0.30
▸ PDE4D Q08499 2/20 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
SCHEMBL10157231 0.94 ADRB3 (0.68) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL10060874 0.89 ADRB3 (0.63) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL18018754 0.89 ADRB3 (0.67) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL2624141 0.89 ADRB3 (0.58) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL19870670 0.89 ADRB3 (0.67) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL6877527 0.87 ADRB3 (0.67) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL10060872 0.87 ADRB3 (0.67) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL3668463 0.87 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL19870667 0.87 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4
SCHEMBL3668461 0.87 ADRB3 (0.71) ADRB3ADRA2BADRA2CCTSSCYP3A4

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 2 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
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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