SCHEMBL2590299

SCHEMBL2590299

O=C(O)CN(CCN(CC(=O)O)C(=O)c1ccccc1O)C(=O)c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 6/20 0.48
HPGD P15428 6/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TP53 P04637 2/20 0.46
HSD17B10 Q99714 4/20 0.42
MAPT P10636 2/20 0.42
AKR1B1 P15121 1/20 0.41

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
SCHEMBL266244 0.86 TSHR (0.58) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL12354118 0.76 TSHR (1.00) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL29478348 0.76 TSHR (0.62) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL288796 0.76 TSHR (0.62) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL20885355 0.75 MAPT (0.43) TSHRKDM4EALDH1A1TP53MAPT
SCHEMBL30337088 0.74 TP53 (0.62) TSHRTDP1HPGDALDH1A1TP53
SCHEMBL28972723 0.74 TP53 (0.62) TSHRTDP1HPGDALDH1A1TP53
Alcohol SCHEMBL28109153 0.73 TSHR (0.59) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL9972492 0.73 TSHR (0.61) TSHRHPGDSMN1; SMN2TP53MAPT
Edetic Acid SCHEMBL8351996 0.72 ALDH1A1 (0.60) TSHRTDP1KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157375-A1 COMPOUND LONDON SCHOOL OF HYGIENE AND TROPICAL MEDICINE (GB) 2013-06-20 US disclosed
EP-2564205-A1 COMPOUND King's College London (GB) 2013-03-06 EP disclosed
WO-2011135361-A1 COMPOUND KING'S COLLEGE LONDON (GB) 2011-11-03 WO disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
EP-1635909-A2 TREATMENT OF AMYLOID- AND EPILEPTOGENESIS-ASSOCIATED DISEASES Neurochem (International) Limited (CH) 2006-03-22 EP disclosed
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
US-20050038000-A1 Methods and compositions for the treatment of amyloid-and epileptogenesis-associated diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2005-02-17 US disclosed
US-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2005-02-10 US disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 WO disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 TSHR 3717/4885TDP1 2580/4885KDM4E 2320/4885
US-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 TSHR 3667/4885TDP1 2371/4885KDM4E 1626/4885
US-20130157375-A1 COMPOUND TFRC, FTH1, SLC40A1 TSHR 801/4885TDP1 4578/4885KDM4E 3973/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 TSHR 4089/4885TDP1 2673/4885KDM4E 2827/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 TSHR 4289/4885TDP1 2348/4885KDM4E 1615/4885
US-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement APP, IAPP, PSEN1 TSHR 4543/4885TDP1 1472/4885KDM4E 4537/4885
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP TSHR 4639/4885TDP1 154/4885KDM4E 1939/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 TSHR 3667/4885TDP1 2371/4885KDM4E 1626/4885
US-20050038000-A1 Methods and compositions for the treatment of amyloid-and epileptogenesis-associated diseases APP, PSEN1, PSEN2 TSHR 4758/4885TDP1 1574/4885KDM4E 3632/4885

“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.