SCHEMBL25283

SCHEMBL25283

CC(=O)c1cccc(C(=O)[O-])c1O.CC(=O)c1cccc(C(=O)[O-])c1O.[Mg+2]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRPF1 P55201 1/20 0.37
PBRM1 Q86U86 1/20 0.36
ALB P02768 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL26227 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL4393614 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL20484784 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
Silver SCHEMBL191053 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL10404578 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
Lithium Ion SCHEMBL1457619 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
Potassium Ion SCHEMBL5250865 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL2133320 0.96 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL4966622 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL11433030 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312433-A1 TREATMENT OF VR1-ANTAGONIST-INDUCED INCREASE IN BODY TEMPERATURE WITH AN ANTIPYRETIC AGENT AMGEN INC. 2009-12-17 US claimed
EP-2066774-A1 WAREWASHING COMPOSITION FOR USE IN AUTOMATIC DISHWASHING MACHINES, AND METHOD FOR USING ECOLAB INC. (US) 2009-06-10 EP claimed
EP-1617816-B1 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INT LTD (IE) 2009-05-13 EP claimed
EP-1938803-A2 Formulations comprising nanoparticulate meloxican Elan Pharma International Limited (IE) 2008-07-02 EP claimed
EP-1885348-A2 ANTIPYRETIC AGENTS AGAINST VR1-ANTAGONIST-INDUCED INCREASES IN BODY TEMPERATURE Amgen, Inc (US) 2008-02-13 EP claimed
WO-2008013746-A1 WAREWASHING COMPOSITION FOR USE IN AUTOMATIC DISHWASHING MACHINES, AND METHOD FOR USING ECOLAB INC. (US) 2008-01-31 WO claimed
US-20080020960-A1 Warewashing composition for use in automatic dishwashing machines, and method for using ECOLAB USA INC. 2008-01-24 US claimed
US-20060281718-A1 Treatment of VR1-antagonist-induced increase in body temperature with an antipyretic agent AMGEN INC. 2006-12-14 US claimed
WO-2006124753-A2 ANTIPYRETIC AGENTS AGAINST VR1-ANTAGONIST-INDUCED INCREASES IN BODY TEMPERATURE AMGEN INC. (US) 2006-11-23 WO claimed
EP-1684725-A1 NOVEL NIMESULIDE COMPOSITIONS Elan Pharma International Limited (IE) 2006-08-02 EP claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-6071417-A ADDITION OF ALKALI POLYPHOSPHATES TO AN AQUEOUS SOLUTION CONTAINING RESIDUAL AMOUNTS OF CATIONIC, ANIONIC, OR AMPHOTERIC WATER-SOLUBLE MACROMOLECULAR COMPOUNDS, FORMATION OF INSOLUBLE COMPLEXES OF THE ALKALI POLYPHOSPHATE KURITA WATER INDUSTRIES, LTD. (JP) 2000-06-06 US claimed
EP-0957919-A1 ANALGESIC COMPOSITION FOR TREATMENT OF MIGRAINE HEADACHES Mauskop, Alexander (US) 1999-11-24 EP claimed
US-5914129-A MAGNESIUM SALT, STIMULANT, EFFERVESCING AGENT AND CARRIERS MAUSKOP ALEXANDER (US) 1999-06-22 US claimed
WO-1998003179-A1 ANALGESIC COMPOSITION FOR TREATMENT OF MIGRAINE HEADACHES MAUSKOP ALEXANDER (US) 1998-01-29 WO claimed
US-4849417-A ANALGESIC, ANTIPYRETIC RHONE-POULENC SANTE (FR) 1989-07-18 US claimed
US-4764637-A Hydrated magnesium acetylsalicylate/urea complex preparation RHONE-POULENC SANTE (FR) 1988-08-16 US claimed
EP-0200628-B1 DERIVATIVE OF ACETYLSALICYLIC ACID, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT RHONE-POULENC SANTE (FR) 1988-07-20 EP claimed

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-20090312433-A1 TREATMENT OF VR1-ANTAGONIST-INDUCED INCREASE IN BODY TEMPERATURE WITH AN ANTIPYRETIC AGENT VRK1, VIPR1, AVPR1A KDM4E 4666/4885ALDH1A1 983/4885HPGD 1120/4885
US-20060281718-A1 Treatment of VR1-antagonist-induced increase in body temperature with an antipyretic agent VRK1, VIPR1, AVPR1A KDM4E 4666/4885ALDH1A1 983/4885HPGD 1120/4885

“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.