SCHEMBL5431925

SCHEMBL5431925

CNC(=O)c1ccccc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
GLA P06280 1/20 0.57
AKR1B1 P15121 1/20 0.54
HCRTR1 O43613 2/20 0.51
SGMS2 Q8NHU3 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 3/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL19212900 0.85 ALDH1A1 (0.60) SMN1; SMN2GLAHCRTR1SGMS2MEN1
SCHEMBL6400854 0.83 HCRTR1 (0.73) L3MBTL1HCRTR1MEN1KMT2AKDM4E
SCHEMBL14428116 0.82 SGMS2 (0.75) L3MBTL1SGMS2MEN1KMT2AMAPT
SCHEMBL7105901 0.82 SGMS2 (0.70) SMN1; SMN2SGMS2MEN1KMT2AKDM4E
SCHEMBL1280991 0.81 POLB (0.64) L3MBTL1SMN1; SMN2POLBGLAMEN1
SCHEMBL11202907 0.81 HCRTR1 (0.53) GLAHCRTR1SGMS2MEN1KMT2A
SCHEMBL15905692 0.81 GAA (0.53) L3MBTL1GLAHCRTR1SGMS2MEN1
SCHEMBL4006491 0.81 LMNA (0.64) L3MBTL1SMN1; SMN2POLBGLAKDM4E
SCHEMBL17372941 0.81 KMT2A (0.75) L3MBTL1SMN1; SMN2HCRTR1SGMS2MEN1
SCHEMBL8414408 0.80 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2POLBGLAAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411389-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-12-29 US disclosed
US-11325892-B2 Compounds and methods for treating cancer MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-05-10 US disclosed
US-20190345123-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-11-14 US disclosed
US-10301273-B2 Compounds and methods for treating cancer MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-05-28 US disclosed
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-10 US disclosed
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-10 US disclosed
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 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 (6 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-11325892-B2 Compounds and methods for treating cancer SCD, CPT1B, CPT1A L3MBTL1 1974/4885SMN1; SMN2 2189/4885POLB 1484/4885
US-20220411389-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A L3MBTL1 1974/4885SMN1; SMN2 2189/4885POLB 1484/4885
US-10301273-B2 Compounds and methods for treating cancer SCD, CPT1B, CPT1A L3MBTL1 1974/4885SMN1; SMN2 2189/4885POLB 1484/4885
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A L3MBTL1 1974/4885SMN1; SMN2 2189/4885POLB 1484/4885
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) MPO, XDH, EPX L3MBTL1 3772/4885SMN1; SMN2 1917/4885POLB 798/4885
US-20190345123-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A L3MBTL1 1974/4885SMN1; SMN2 2189/4885POLB 1484/4885

“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.