Maleic Acid

Maleic Acid

SCHEMBL3064256

COc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(C(N)=O)cn5)ccc4n3C)CC2)cc1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.51

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 12)

geneUniProtsupporting neighboursconfidence
PIK3CA known ✓ P42336 2/20 0.47
DRD2 known ✓ P14416 1/20 0.46
STAT3 P40763 10/20 0.51
OPRM1 P35372 4/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
ABCB1 P08183 1/20 0.49
PRKAA2 P54646 2/20 0.47
PTGS2 P35354 1/20 0.46
DRD3 P35462 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL3065446 0.95 STAT3 (0.54) STAT3OPRM1OPRD1OPRK1ABCB1
Fumaric Acid SCHEMBL3064261 0.88 STAT3 (0.49) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL3065449 0.86 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL3057622 0.86 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
Bromide SCHEMBL3067852 0.85 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
Bromide SCHEMBL3063277 0.85 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
Maleic Acid SCHEMBL3069658 0.85 STAT3 (0.45) STAT3PIK3CAPRKAA2PTGS2DRD2
Fumaric Acid SCHEMBL3069662 0.85 STAT3 (0.45) STAT3PIK3CAPRKAA2PTGS2DRD2
Maleic Acid SCHEMBL3056841 0.83 STAT3 (0.56) STAT3PIK3CAPRKAA2
Fumaric Acid SCHEMBL3069210 0.83 STAT3 (0.49) STAT3PIK3CAPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 PIK3CA 3582/4885DRD2 392/4885STAT3 1499/4885

“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.