SCHEMBL13617072

SCHEMBL13617072

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CYP3A4 P08684 2/20 0.38
▸ GAA P10253 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ PRSS1 P07477 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
SCHEMBL7816159 1.00 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL2238925 1.00 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL2238934 1.00 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL2238929 1.00 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL12349815 0.99 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL2239472 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL2239474 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL2239478 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL13617075 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL7812408 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4F2

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-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — US disclosed
US-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — 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-20090285773-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ADRB3 3508/4885ADRA2B 3612/4885ADRA2C 3036/4885

“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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