SCHEMBL7874158

SCHEMBL7874158

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](Nc5cccc(C(F)(F)F)c5)C(=O)N4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.54
▸ ADRB3 P13945 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ CYP3A4 P08684 2/20 0.36
▸ CTSS P25774 1/20 0.35
▸ TRPV4 Q9HBA0 2/20 0.34
▸ TACR3 P29371 1/20 0.32
▸ CALCRL Q16602 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RUVBL1 Q9Y265 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL7878011 0.94 CTSB (0.56) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7875444 0.94 CTSB (0.54) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7872132 0.94 CTSB (0.53) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7874057 0.94 CTSB (0.58) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7875235 0.93 CTSB (0.54) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7869490 0.93 CTSB (0.66) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7877406 0.92 CTSB (0.57) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7874660 0.90 CTSB (0.57) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7869316 0.90 CTSB (0.57) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7870526 0.88 CTSB (0.56) CTSBADRB3ADRA2BADRA2CCYP3A4

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 5 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-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 — — 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 (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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSB 486/4885ADRB3 4326/4885ADRA2B 4470/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSB 486/4885ADRB3 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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