SCHEMBL7877564

SCHEMBL7877564

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5CCCCCCC[C@H](Nc5ccccc5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.51
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CYP3A4 P08684 2/20 0.36
▸ CTSB P07858 2/20 0.32
▸ PPP3CB P16298 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
SCHEMBL12170825 0.93 CTSS (0.50) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7872984 0.93 CTSS (0.62) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7877630 0.92 CTSS (0.49) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL18745516 0.90 CTSS (0.52) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8382907 0.89 CTSS (0.57) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7874569 0.89 CTSS (0.61) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7872288 0.89 CTSS (0.59) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7877260 0.88 CTSS (0.60) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7876496 0.88 CTSS (0.60) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12844668 0.88 CTSS (0.60) CTSSADRB3ADRA2BADRA2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSS 659/4885ADRB3 4326/4885ADRA2B 4470/4885

“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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