SCHEMBL7831295

SCHEMBL7831295

N=C(NCC(=O)O)NP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 4/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
CTH P32929 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7827323 0.79 ECE1 (0.39) LMNAKDM4ECA1CA2
SCHEMBL2988199 0.77 TDP1 (0.36) EGLN1APEX1TDP1KMT2APOLB
SCHEMBL9889353 0.73 MMP2 (0.44) ALDH1A1
SCHEMBL21461381 0.72
Guanidino Acetate SCHEMBL28788166 0.71 MAPT (0.38) EGLN1APEX1TDP1KMT2APOLB
Guanidino Acetate SCHEMBL2428942 0.71 MAPT (0.38) EGLN1APEX1TDP1KMT2APOLB
SCHEMBL5538105 0.70
SCHEMBL1551259 0.70
SCHEMBL2984431 0.69 TDP1 (0.33) EGLN1APEX1TDP1KMT2APOLB
SCHEMBL11130677 0.69 EGLN1 (0.46) EGLN1APEX1TDP1KMT2APOLB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
US-20100303840-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AVICENA GROUP, INC. (US) 2010-12-02 US disclosed
US-20100226870-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2010-09-09 US disclosed
US-20100179106-A1 MITOCHONDRIAL COMPOSITIONS AND USES THEREOF GENCIA CORPORATION (US) 2010-07-15 US disclosed
US-20090298943-A1 Use of creatine analogues and creatine kinase modulators for the prevention and treatment of obesity and its related disorders AVICENA GROUP, INC. (US) 2009-12-03 US disclosed
US-20080119450-A1 Use of creatine or creatine analogs for the treatment of diseases of the nervous system AVICENA GROUP, INC. (US) 2008-05-22 US disclosed
US-20070253944-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-11-01 US disclosed
US-7285573-B2 Use of creatine or creatine analogs for the treatment of diseases of the nervous system AVICENA GROUP, INC. (US) 2007-10-23 US disclosed
WO-2007096164-A2 CREATINE FOR THE TREATMENT OF L-DOPA-INDUCED DYSKINESIAS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-08-30 WO disclosed
US-7186754-B2 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-03-06 US disclosed
US-6706764-B2 TREATMENT OF DIABETIC AND TOXIC NEUROPATHIES, PERIPHERAL NERVOUS SYSTEM DISEASES, ALZHEIMER DISEASE, PARKINSON'S DISEASE, STROKE, HUNTINGTON'S DISEASE, AMYOTROPIC LATERAL SCLEROSIS AVICENA GROUP, INC. 2004-03-16 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 (9 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-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 EGLN1 3171/4885APEX1 4664/4885TDP1 1558/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 EGLN1 3171/4885APEX1 4664/4885TDP1 1558/4885
US-20100303840-A1 USE OF CREATINE OR CREATINE ANALOGS FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM CKMT1A; CKMT1B, PC, PCK2 EGLN1 4790/4885APEX1 2698/4885TDP1 273/4885
US-20100226870-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION PC, CKMT1A; CKMT1B, CHEK1 EGLN1 3052/4885APEX1 488/4885TDP1 151/4885
US-20070253944-A1 Use of creatine or creatine compounds for skin preservation PC, CKMT1A; CKMT1B, CHEK1 EGLN1 3052/4885APEX1 488/4885TDP1 151/4885
US-20090298943-A1 Use of creatine analogues and creatine kinase modulators for the prevention and treatment of obesity and its related disorders CKMT1A; CKMT1B, PCK1, TKT EGLN1 4439/4885APEX1 4619/4885TDP1 1371/4885
US-20100179106-A1 MITOCHONDRIAL COMPOSITIONS AND USES THEREOF PC, CKMT1A; CKMT1B, SLC25A1 EGLN1 3374/4885APEX1 1366/4885TDP1 1273/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 EGLN1 3171/4885APEX1 4664/4885TDP1 1558/4885
US-20080119450-A1 Use of creatine or creatine analogs for the treatment of diseases of the nervous system CKMT1A; CKMT1B, PC, PCK2 EGLN1 4790/4885APEX1 2698/4885TDP1 273/4885

“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.