SCHEMBL2593546

SCHEMBL2593546

CO[C@H](CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FOLH1 Q04609 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
GABRR1 P24046 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MMP12 P39900 1/20 0.33
LMNA P02545 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
SCHEMBL10212 1.00 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6PARP1PARP10
SCHEMBL2580759 1.00 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6PARP1PARP10
SCHEMBL11672388 0.97 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6PARP1PARP10
SCHEMBL6742371 0.97 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6PARP1PARP10
Ethylene Glycol SCHEMBL3731034 0.93 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6PARP1PARP10
1,4-Butanediol SCHEMBL3742951 0.89 GPR84 (0.38) TDP1SMN1; SMN2SLC22A6PARP1PARP10
Propylene Glycol SCHEMBL3741431 0.87 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6PARP1PARP10
Succinic Acid SCHEMBL9642373 0.87 FOLH1 (0.38) TDP1SMN1; SMN2PARP1PARP10FOLH1
Di(Hydroxyethyl)Ether SCHEMBL3731296 0.85 TSHR (0.39) TDP1SMN1; SMN2SLC22A6PARP1PARP10
Tetraethylene Glycol SCHEMBL3742721 0.84 MEN1 (0.41) TDP1SMN1; SMN2PARP1PARP10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF FACULDADE DE CIENCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-11-09 US disclosed
US-9260459-B2 4,6-hexadecadiene-2,4-dicarboxylic acid derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-16 US disclosed
US-20150183809-A1 4,6-HEXADECADIENE-2,4-DICARBOXYLIC ACID DERIVATIVE KYOWA KIRIN CO., LTD. (JP) 2015-07-02 US disclosed
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 WO disclosed
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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 (5 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-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 TDP1 4636/4885SMN1; SMN2 2954/4885SLC22A6 160/4885
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 TDP1 4382/4885SMN1; SMN2 3910/4885SLC22A6 1305/4885
US-20150183809-A1 4,6-HEXADECADIENE-2,4-DICARBOXYLIC ACID DERIVATIVE NR5A2, NR4A3, NR4A2 TDP1 4653/4885SMN1; SMN2 3816/4885SLC22A6 423/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TDP1 3060/4885SMN1; SMN2 3973/4885SLC22A6 3366/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TDP1 3060/4885SMN1; SMN2 3973/4885SLC22A6 3366/4885

“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.