SCHEMBL1645174

SCHEMBL1645174

C=CCCC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSK P43235 10/20 0.38
CTSS P25774 5/20 0.38
MAPT P10636 1/20 0.37
KLK5 Q9Y337 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL1645172 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13925030 0.90 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13925029 0.90 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL4162336 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL703741 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL4578073 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL12205399 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL10053456 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL22444306 0.83 CTSK (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL22444303 0.83 CTSK (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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 52 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
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed
US-11958856-B2 Substituted 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-ones as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-04-16 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-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230067355-A1 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one Derivatives Useful As Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 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
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
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
EP-1169339-B1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-09-29 EP disclosed
EP-1437362-A1 Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-14 EP disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 US disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 US disclosed
EP-1169339-A1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-09 EP disclosed
WO-2000059929-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-12 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 SMN1; SMN2 1460/4885CYP1A2 4799/4885CYP2C9 3427/4885
US-20230067355-A1 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one Derivatives Useful As Factor XIa Inhibitors SERPINE1, SERPINC1, F11 SMN1; SMN2 4171/4885CYP1A2 840/4885CYP2C9 711/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS SMN1; SMN2 4138/4885CYP1A2 905/4885CYP2C9 1517/4885
US-11958856-B2 Substituted 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-ones as factor XIa inhibitors SERPINC1, SERPINE1, F11 SMN1; SMN2 3729/4885CYP1A2 1360/4885CYP2C9 702/4885
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 SMN1; SMN2 1460/4885CYP1A2 4799/4885CYP2C9 3427/4885
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 SMN1; SMN2 2976/4885CYP1A2 1886/4885CYP2C9 1067/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 SMN1; SMN2 1460/4885CYP1A2 4799/4885CYP2C9 3427/4885
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 SMN1; SMN2 1460/4885CYP1A2 4799/4885CYP2C9 3427/4885

“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.