SCHEMBL16315740

SCHEMBL16315740

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCC[C@H](NC(C)=O)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.68
▸ ADRA2B P18089 1/20 0.68
▸ ADRA2C P18825 1/20 0.68
▸ CTSB P07858 2/20 0.46
▸ CTSS P25774 1/20 0.39
▸ PPP3CB P16298 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ABCC1 P33527 1/20 0.32
▸ ABCC2 Q92887 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32

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
Ciluprevir SCHEMBL5152276 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL2524642 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL16199312 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL1735179 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL18671856 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL16438974 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL5152261 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL1736294 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
Ciluprevir SCHEMBL12300089 0.95 ADRB3 (0.75) ADRB3ADRA2BADRA2CCTSBCTSS
SCHEMBL7876062 0.93 ADRB3 (0.64) ADRB3ADRA2BADRA2CCTSBCTSS

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-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 — — 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-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP ADRB3 4070/4885ADRA2B 4543/4885ADRA2C 4304/4885

“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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