SCHEMBL7877007

SCHEMBL7877007

COc1ccc2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](Nc5ccccc5)C(=O)N4C3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.51
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CTSS P25774 1/20 0.41
▸ CYP3A4 P08684 3/20 0.36
▸ P2RX3 P56373 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ITK Q08881 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPC1 O15118 2/20 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
SCHEMBL7869558 0.96 CTSB (0.48) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7869521 0.94 CTSB (0.47) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7875414 0.93 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7869536 0.93 CTSB (0.50) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7874887 0.93 CTSB (0.47) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7869575 0.93 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7878135 0.93 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7877282 0.92 CYP3A4 (0.44) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7869382 0.92 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7875374 0.92 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCTSS

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 7 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
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO 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.

Send feedback