Maleic Acid

Maleic Acid

SCHEMBL5202058

N#Cc1ccc(NCCNCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1.O=C(O)/C=C\C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 19/20 1.00
DPP8 Q6V1X1 3/20 0.63
DPP7 Q9UHL4 3/20 0.63
DPP9 Q86TI2 2/20 0.56
PREP P48147 1/20 0.49

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
Maleic Acid SCHEMBL5204371 0.86 DPP4 (0.76) DPP4DPP8DPP7DPP9PREP
Hydrochloric Acid SCHEMBL5203069 0.83 DPP4 (0.98) DPP4DPP8DPP7PREP
Hydrochloric Acid SCHEMBL5205869 0.81 DPP4 (0.98) DPP4DPP8DPP7DPP9PREP
SCHEMBL5206757 0.80 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
Hydrochloric Acid SCHEMBL5203352 0.79 DPP4 (0.98) DPP4DPP8DPP7DPP9PREP
Hydrochloric Acid SCHEMBL1069089 0.78 DPP4 (0.86) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL1069087 0.78 DPP4 (0.86) DPP4DPP8DPP7
SCHEMBL5549129 0.78 DPP4 (0.69) DPP4DPP8DPP7DPP9PREP
SCHEMBL5545248 0.78 DPP4 (0.69) DPP4DPP8DPP7DPP9PREP
SCHEMBL5545247 0.78 DPP4 (0.69) DPP4DPP8DPP7DPP9PREP

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
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 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 (3 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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 DPP4 2412/4885DPP8 2730/4885DPP7 3078/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 DPP4 1/4885DPP8 7/4885DPP7 4/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT DPP4 3721/4885DPP8 4475/4885DPP7 4451/4885

“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.