SCHEMBL8245145

SCHEMBL8245145

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CTSS P25774 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL21853279 1.00 CTSK (0.44) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL13925023 0.90 SMN1; SMN2 (0.55) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL8091831 0.90 SMN1; SMN2 (0.55) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL12205399 0.89 SMN1; SMN2 (0.46) CTSKSMN1; SMN2CTSSMAPTNFKB1
SCHEMBL10053456 0.89 SMN1; SMN2 (0.46) CTSKSMN1; SMN2CTSSMAPTNFKB1
SCHEMBL3683654 0.88 CTSK (0.46) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL330005 0.88 CTSK (0.46) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL1937079 0.88 CTSK (0.46) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL330004 0.88 CTSK (0.46) CTSKHDAC4HDAC1SMN1; SMN2HDAC6
SCHEMBL1937084 0.88 CTSK (0.46) CTSKHDAC4HDAC1SMN1; SMN2HDAC6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-09-05 US disclosed
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-09-15 US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
EP-3813818-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-05-05 EP disclosed
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2021-04-20 CN disclosed
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-23 US 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
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 (8 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CTSK 3629/4885HDAC4 2760/4885HDAC1 1013/4885
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CTSK 859/4885HDAC4 2076/4885HDAC1 783/4885
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CTSK 3629/4885HDAC4 2760/4885HDAC1 1013/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CTSK 859/4885HDAC4 2076/4885HDAC1 783/4885
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CTSK 3629/4885HDAC4 2760/4885HDAC1 1013/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CTSK 778/4885HDAC4 2092/4885HDAC1 666/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CTSK 3629/4885HDAC4 2760/4885HDAC1 1013/4885
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CTSK 3629/4885HDAC4 2760/4885HDAC1 1013/4885

“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.