SCHEMBL12564571

SCHEMBL12564571

C[C@@H](CCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SLC15A1 P46059 2/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NOTUM Q6P988 1/20 0.46
CDC25B P30305 1/20 0.46
ACE2 Q9BYF1 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8224834 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL18709165 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL25984102 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL18858339 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL17949819 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL10092579 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL26477155 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL4890742 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL24591323 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL27489823 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-9700633-B2 Conjugates of water soluble polymer-amino acid oligopeptide-drug, preparation method and use thereof JENKEM TECHNOLOGY CO., LTD., TIANJIN BRANCH (CN) 2017-07-11 US disclosed
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF JENKEM TECHNOLOGY CO. LTD., TIANJIN BRANCH (CN) 2015-12-17 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 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 (5 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 ALDH1A1 2161/4885MAPK1 1264/4885L3MBTL1 1122/4885
US-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 ALDH1A1 2186/4885MAPK1 2492/4885L3MBTL1 3245/4885
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF SLC7A1, NPPA, PEPD ALDH1A1 2543/4885MAPK1 2262/4885L3MBTL1 1271/4885
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN ALDH1A1 1647/4885MAPK1 3812/4885L3MBTL1 1678/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 ALDH1A1 2843/4885MAPK1 3469/4885L3MBTL1 2173/4885

“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.