SCHEMBL8104970

SCHEMBL8104970

CCOC(=O)[C@@]12CC1/C=C\CCCN(C1CC1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL12349775 1.00 CYP3A4 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL12349778 0.92 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL8104803 0.92 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL12349810 0.92 ADRB3 (0.41) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13617075 0.91 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2239474 0.91 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL7812408 0.91 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2239472 0.91 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2239478 0.91 ADRB3 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL17399734 0.88 ADRB3 (0.33) CYP3A4ADRB3ADRA2BADRA2C

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-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — 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 (2 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS CYP3A4 1993/4885ADRB3 3003/4885ADRA2B 4031/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP CYP3A4 1719/4885ADRB3 3491/4885ADRA2B 3677/4885

“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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