SCHEMBL8185243

SCHEMBL8185243

C=CCC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](OC(=O)N4Cc5cccc(F)c5C4)C[C@H]2C(=O)N3)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL11983953 0.94 CYP3A4 (0.41) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13798356 0.94 CYP3A4 (0.44) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13798357 0.93 CYP3A4 (0.43) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13798360 0.93 CYP3A4 (0.43) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13798359 0.93 CYP3A4 (0.42) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL8170926 0.92 CYP3A4 (0.35) CYP3A4
SCHEMBL8378647 0.91 CYP3A4 (0.47) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL12844643 0.91 CYP3A4 (0.47) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL7866832 0.91 CYP3A4 (0.47) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL10093039 0.90 CYP3A4 (0.40) 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885ADRB3 4329/4885ADRA2B 4524/4885

“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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