SCHEMBL1300716

SCHEMBL1300716

CCCOc1cc(C=O)cc(B(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ELANE P08246 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33

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
SCHEMBL17236433 0.92 SMN1; SMN2 (0.42) ERN1KDM4EALDH1A1LMNAMAPT
SCHEMBL9945982 0.89 ERN1 (0.39) ERN1KMT2AMEN1ALDH1A1LMNA
SCHEMBL16687413 0.87 ALDH1A1 (0.41) ERN1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14316911 0.83 ALDH1A1 (0.44) ERN1KMT2AMEN1ALDH1A1LMNA
SCHEMBL273091 0.83 ALDH1A1 (0.44) ERN1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3790617 0.83 LTA4H (0.41) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL22594794 0.81 PTGS1 (0.59) KMT2AMEN1PTGS1PTGS2TUBB4A
SCHEMBL24993379 0.77 AHR (0.53) ERN1ALDH1A1LMNAMAPTHPGD
SCHEMBL29953751 0.77 ENPP2 (0.46) ERN1KMT2AMEN1ALDH1A1TUBB4A
SCHEMBL29953064 0.77 ELANE (0.43) KMT2AMEN1ALDH1A1LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 EP disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 EP disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
EP-2323987-A1 N-MYRISTOYL TRANSFERASE INHIBITORS University of Dundee (GB) 2011-05-25 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 ERN1 1052/4885KDM4E 1479/4885KMT2A 1145/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP ERN1 3463/4885KDM4E 1517/4885KMT2A 1160/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ERN1 2855/4885KDM4E 4270/4885KMT2A 4328/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP ERN1 3463/4885KDM4E 1517/4885KMT2A 1160/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP ERN1 3463/4885KDM4E 1517/4885KMT2A 1160/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ERN1 1052/4885KDM4E 1479/4885KMT2A 1145/4885

“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.