Maleic Acid

Maleic Acid

SCHEMBL5167559

C[C@H](CCc1ccc(CCCCOCc2ccccc2)s1)C(N)O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. 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
ADRB2 known ✓ P07550 2/20 0.34
ADRB1 known ✓ P08588 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
CYP2C19 P33261 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRB3 P13945 2/20 0.34

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
Fumaric Acid SCHEMBL5167568 1.00 L3MBTL1 (0.37) L3MBTL1TDP1HCAR2CYP2C19MMP3
Fumaric Acid SCHEMBL6775343 0.85 L3MBTL1 (0.39) L3MBTL1TDP1HCAR2MMP3MMP9
SCHEMBL6775335 0.82 HCAR2 (0.45) L3MBTL1TDP1HCAR2MMP3MMP9
Maleic Acid SCHEMBL6303089 0.80 LNPEP (0.33) PTGER2
Oxalic Acid SCHEMBL6305327 0.79 FAAH (0.44) MAPTPTGER2
SCHEMBL6775342 0.78 HCAR2 (0.40) L3MBTL1TDP1HCAR2MMP3MMP9
Oxalic Acid SCHEMBL5170460 0.77 DPP4 (0.39) TDP1CYP2C19ALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL6310342 0.77 MEN1 (0.39) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5165250 0.76 DPP4 (0.37) CYP2C19KMT2A
Cadaverine Tartrate SCHEMBL5168149 0.73 LTA4H (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ADRB2 202/4885ADRB1 67/4885L3MBTL1 1321/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ADRB2 202/4885ADRB1 67/4885L3MBTL1 1321/4885

“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.