SCHEMBL11984057

SCHEMBL11984057

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NCC2CC2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CYP3A4 P08684 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ NPC1L1 Q9UHC9 2/20 0.31
▸ PLG P00747 1/20 0.31
▸ PBK Q96KB5 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ XIAP P98170 2/20 0.30
▸ BIRC3 Q13489 2/20 0.30
▸ BIRC2 Q13490 2/20 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
SCHEMBL13059755 1.00 F2 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13818327 1.00 F2 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL12808446 0.92 F2 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL11984182 0.92 ADRB3 (0.35) F2F10PRSS1ADRB3ADRA2B
SCHEMBL11984046 0.91 ADRB3 (0.35) F2F10PRSS1ADRB3ADRA2B
SCHEMBL12785318 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2C
SCHEMBL11984183 0.90 ADRB3 (0.38) F2F10PRSS1ADRB3ADRA2B
SCHEMBL11984064 0.90 F2 (0.36) F2F10PRSS1ADRB3ADRA2B
SCHEMBL11984068 0.90 CYP3A4 (0.34) F2F10PRSS1ADRB3ADRA2B
SCHEMBL13059745 0.90 CYP3A4 (0.34) F2F10PRSS1ADRB3ADRA2B

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 12 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-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305695-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
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US 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-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

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 F2 582/4885F10 2678/4885PRSS1 1737/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS F2 582/4885F10 2678/4885PRSS1 1737/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS F2 582/4885F10 2678/4885PRSS1 1737/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS F2 450/4885F10 2347/4885PRSS1 1516/4885

“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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