SCHEMBL4830438

SCHEMBL4830438

CN(Cc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GLS O94925 1/20 0.48
AOC3 Q16853 3/20 0.48
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
MEP1B Q16820 5/20 0.47
MEP1A Q16819 2/20 0.47
FOLH1 Q04609 1/20 0.46
SLC7A5 Q01650 1/20 0.46
MRGPRX4 Q96LA9 4/20 0.44
NR1H4 Q96RI1 1/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL13135982 0.89 GLS (0.46) MEN1KMT2AGLSAOC3HTR2C
SCHEMBL3010698 0.86 MRGPRX4 (0.45) MEN1KMT2AHTR2CSLC6A4FOLH1
SCHEMBL1830055 0.86 LOXL2 (0.54) MEN1KMT2AGLSHTR2CSLC6A4
SCHEMBL29580473 0.86 MRGPRX4 (0.45) MEN1KMT2AHTR2CSLC6A4FOLH1
SCHEMBL20794226 0.84 MEP1B (0.54) MEN1KMT2AAOC3MEP1BMEP1A
SCHEMBL7190668 0.84 RIPK1 (0.57) MEN1KMT2AGLSHTR2CSLC6A4
SCHEMBL14987121 0.83 GLS (0.56) MEN1KMT2AGLSAOC3HTR2C
SCHEMBL21561867 0.83 HTR2C (0.44) MEN1KMT2AGLSAOC3HTR2C
SCHEMBL7021352 0.83 GLS (0.53) MEN1KMT2AGLSAOC3HTR2C
SCHEMBL1831339 0.83 GLS (0.50) MEN1KMT2AGLSAOC3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
CN-1227230-C Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2005-11-16 CN disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 US disclosed
CN-1447793-A Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2003-10-08 CN disclosed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP disclosed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 US disclosed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 WO disclosed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 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 (3 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR MEN1 1089/4885KMT2A 1763/4885GLS 2986/4885
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 MEN1 4382/4885KMT2A 2738/4885GLS 879/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR MEN1 1037/4885KMT2A 1744/4885GLS 2766/4885

“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.