Maleic Acid

Maleic Acid

SCHEMBL5167283

COc1cccc(OCC#Cc2ccc(CC[C@@H](C)C(N)O)s2)c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
BTK known ✓ Q06187 1/20 0.33
GRM5 P41594 3/20 0.39
EGLN1 Q9GZT9 1/20 0.37
MTNR1A P48039 7/20 0.36
MTNR1B P49286 7/20 0.36
LMNA P02545 1/20 0.36
ACACB O00763 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC1A5 Q15758 1/20 0.33
GAA P10253 1/20 0.32

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 SCHEMBL5167292 1.00 GRM5 (0.39) GRM5EGLN1MTNR1AMTNR1BLMNA
Fumaric Acid SCHEMBL5168507 0.94 DPP4 (0.31) GRM5EGLN1ALDH1A1TDP1KDM4E
Maleic Acid SCHEMBL6304464 0.94 DPP4 (0.31) GRM5EGLN1ALDH1A1TDP1KDM4E
Fumaric Acid SCHEMBL5168429 0.89 LTB4R (0.36) MAPK1ALDH1A1KDM4EGAA
Maleic Acid SCHEMBL5168413 0.89 LTB4R (0.36) MAPK1ALDH1A1KDM4EGAA
Fumaric Acid SCHEMBL6304447 0.86 TDP1 (0.34) L3MBTL1MAPK1ALDH1A1TDP1
Maleic Acid SCHEMBL6304442 0.86 TDP1 (0.34) L3MBTL1MAPK1ALDH1A1TDP1
Oxalic Acid SCHEMBL6310909 0.85 EGLN1 (0.38) GRM5EGLN1L3MBTL1MAPK1TDP1
Maleic Acid SCHEMBL5166190 0.85 GRM5 (0.35) GRM5EGLN1L3MBTL1ALDH1A1
Fumaric Acid SCHEMBL5166201 0.85 GRM5 (0.35) GRM5EGLN1L3MBTL1ALDH1A1

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 6 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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 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 BTK 2893/4885GRM5 982/4885EGLN1 1053/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A BTK 2893/4885GRM5 982/4885EGLN1 1053/4885

“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.