SCHEMBL5514920

SCHEMBL5514920

Cc1nc(C)c(C(=O)O)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 2/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HPGD P15428 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL27563542 0.84 KDM4E (0.42) ALDH1A1NPSR1MAPTPDE10AMAPK1
SCHEMBL4249930 0.81 HSD17B10 (0.46) ALDH1A1PDE10AMAPK1SMN1; SMN2KMT2A
SCHEMBL5511141 0.80 NPSR1 (0.41) ALDH1A1NPSR1MAPTPDE10ASMN1; SMN2
SCHEMBL3543372 0.79 ALDH1A1 (0.47) ALDH1A1MAPTPDE10AMAPK1SMN1; SMN2
SCHEMBL72281 0.78 PDE10A (0.45) ALDH1A1NPSR1MAPTPDE10AMAPK1
SCHEMBL13780199 0.76 TSHR (0.53) PDE10AKMT2AMEN1FABP3FABP4
SCHEMBL26967850 0.76 P2RX3 (0.41) ALDH1A1MAPTPDE10AMAPK1SMN1; SMN2
SCHEMBL10126430 0.76 POLB (0.44) ALDH1A1NPSR1MAPTSMN1; SMN2KMT2A
SCHEMBL4248422 0.75 LMNA (0.46) ALDH1A1PDE10AMAPK1SMN1; SMN2KMT2A
SCHEMBL3282837 0.75 PPARG (0.45) ALDH1A1PDE10AMAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 WO disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 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 (7 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ALDH1A1 1981/4885NPSR1 687/4885MAPT 3775/4885
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 ALDH1A1 437/4885NPSR1 2330/4885MAPT 4310/4885
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 ALDH1A1 2736/4885NPSR1 116/4885MAPT 3008/4885
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 ALDH1A1 2958/4885NPSR1 3009/4885MAPT 3481/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885NPSR1 772/4885MAPT 3524/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885NPSR1 772/4885MAPT 3524/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885NPSR1 772/4885MAPT 3524/4885

“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.