SCHEMBL1047552

SCHEMBL1047552

CCC(C(=O)O)C(=O)NN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSD P07339 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
FFAR3 O14843 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ALOX15 P16050 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 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
SCHEMBL1758553 0.90 CA1 (0.50) CA2CA1HIF1AMEN1KMT2A
SCHEMBL8047201 0.83 CA1 (0.45) CA2CA1HIF1AMEN1KMT2A
SCHEMBL28937194 0.77 FOLH1 (0.54) CA2CA1MEN1KMT2AUSP2
SCHEMBL8530894 0.77 MEN1 (0.38) CA2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL8047199 0.76 CA2 (0.35) CA2CA1MEN1KMT2ACTSD
SCHEMBL8529431 0.75 TSHR (0.41) MEN1KMT2AUSP2TSHRMME
SCHEMBL10052282 0.75 CA1 (0.52) CA2CA1HIF1AKMT2ACTSD
Ethylmalonate SCHEMBL107241 0.74
SCHEMBL8174142 0.74
Hydrochloric Acid SCHEMBL5318804 0.73 CA1 (0.50) CA2CA1HIF1AKMT2ACTSD

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
WO-2022270554-A1 COSMETIC COMPOSITION 味の素株式会社 2022-12-29 WO disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
EP-3262044-B1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-02-06 EP disclosed
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-22 US disclosed
EP-3262044-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-01-03 EP disclosed
WO-2016135199-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2016-09-01 WO disclosed
EP-3061761-A1 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2016-08-31 EP disclosed
EP-2889289-A1 Pyridazine-dione N-substituted glycine derivatives as HIF hydroxylase inhibitors GlaxoSmithKline LLC (US) 2015-07-01 EP disclosed
US-RE44613-E1 N-substituted glycine derivatives: hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-20110021670-A1 INTEGRATED PROCESS FOR MANUFACTURING A BINDER SOIL NET LLC (US) 2011-01-27 US disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-7608621-B2 Such as n-{[2-[(4-bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine; anemia; increasing erythropoietin production SMITHKLINE BEECHAM, CORP. (US) 2009-10-27 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 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 (2 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-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 CA2 2060/4885CA1 3021/4885HIF1A 1238/4885
US-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors EGLN2, EGLN3, HIF1AN CA2 1108/4885CA1 2879/4885HIF1A 6/4885

“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.