Maleic Acid

Maleic Acid

SCHEMBL6971291

CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.82

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
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SCN9A Q15858 2/20 0.44
ACHE P22303 1/20 0.41
KMT2A Q03164 5/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SLC6A9 P48067 1/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
OPRD1 P41143 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
MGLL Q99685 1/20 0.37

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 SCHEMBL6971299 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSCN9AACHE
SCHEMBL70441 0.90 CYP2D6 (0.46) SCN9AACHEKMT2ASLC6A9MEN1
SCHEMBL5514265 0.84 CYP2D6 (0.41) SCN9AACHEKMT2ASLC6A9MEN1
SCHEMBL24238345 0.83 CYP2D6 (0.40) SCN9AACHEKMT2ASLC6A9MEN1
SCHEMBL24238281 0.83 OPRM1 (0.42) SCN9AACHEKMT2ASLC6A9MEN1
SCHEMBL24238344 0.83 OPRM1 (0.42) SCN9AACHEKMT2ASLC6A9MEN1
SCHEMBL2265275 0.80 CYP2D6 (0.45) ALDH1A1SCN9AKMT2ASLC6A9MEN1
SCHEMBL2264060 0.80 CYP2D6 (0.45) ALDH1A1SCN9AKMT2ASLC6A9MEN1
SCHEMBL9684294 0.77 CYP2D6 (0.49) ALDH1A1KMT2AMEN1CYP2D6OPRD1
SCHEMBL5745189 0.77 CYP2D6 (0.44) ALDH1A1SCN9AKMT2ASLC6A9MEN1

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-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 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 (1 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D ALDH1A1 298/4885KDM4E 1344/4885MAPT 3951/4885

“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.