SCHEMBL16508712

SCHEMBL16508712

COC(=O)[C@@]12C[C@H]1/C=C\CCCCCC(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OS(=O)(=O)c3ccc(Br)cc3)C[C@H]1C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CYP3A4 P08684 2/20 0.37
▸ FPR2 P25090 3/20 0.32
▸ BACE1 P56817 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
SCHEMBL6877501 1.00 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL6876128 1.00 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL10052373 1.00 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL12630409 1.00 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL13248839 1.00 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL10060882 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL9958169 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL6878678 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL9958166 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4FPR2
SCHEMBL9958167 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 — — 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 (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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 ADRB3 3371/4885ADRA2B 2756/4885ADRA2C 2210/4885

“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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