SCHEMBL8243228

SCHEMBL8243228

O=C(Cc1ccc(Cl)cc1)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CCCN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ BDKRB1 P46663 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ XIAP P98170 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
SCHEMBL3793524 1.00 CTSB (0.38) CTSBCTSSPOLBMEN1ADRB3
SCHEMBL13082477 0.94 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL1646382 0.94 CTSB (0.42) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL11976287 0.94 CTSB (0.42) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL3797097 0.94 CTSB (0.42) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL3791880 0.93 CTSB (0.40) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL13059615 0.93 CTSB (0.40) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL13082876 0.93 CTSB (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12808436 0.93 CTSB (0.40) CTSBCTSSMEN1ADRB3ADRA2B
SCHEMBL8247263 0.93 CTSB (0.40) CTSBCTSSMEN1ADRB3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 — — EP disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — 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 (4 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CTSB 550/4885CTSS 916/4885POLB 635/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CTSB 550/4885CTSS 916/4885POLB 635/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CTSB 550/4885CTSS 916/4885POLB 635/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CTSB 541/4885CTSS 837/4885POLB 589/4885

“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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