Maleic Acid

Maleic Acid

SCHEMBL3155055

Fc1ccc2c(c1)c(OC[C@@H]1CNCCO1)nn2-c1ccccc1F.O=C(O)/C=C\C(=O)O

nearest known ligand 0.54

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
▸ SLC6A2 known ✓ P23975 8/20 0.45
▸ SLC6A4 known ✓ P31645 8/20 0.45
▸ SLC6A3 known ✓ Q01959 3/20 0.42
▸ ADRB2 known ✓ P07550 1/20 0.39
▸ HTR1A known ✓ P08908 1/20 0.39
▸ HTR2A known ✓ P28223 1/20 0.39
▸ ADRA1A known ✓ P35348 1/20 0.39
▸ HTR2B known ✓ P41595 1/20 0.39
▸ ADRA2C known ✓ P18825 1/20 0.39
▸ SCN9A Q15858 9/20 0.54
▸ SCN5A Q14524 5/20 0.54
▸ SCN2A Q99250 1/20 0.53
▸ SCN3A Q9NY46 1/20 0.53
▸ SCN8A Q9UQD0 1/20 0.53
▸ MKNK1 Q9BUB5 2/20 0.40

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 SCHEMBL3155065 1.00 SCN9A (0.54) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3155063 1.00 SCN9A (0.54) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3161163 0.94 SCN9A (0.46) SCN9ASCN5ASCN2ASCN3ASCN8A
Maleic Acid SCHEMBL3161156 0.94 SCN9A (0.46) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3143224 0.94 SCN9A (0.51) SCN9ASCN5ASCN2ASCN3ASCN8A
Maleic Acid SCHEMBL3143216 0.94 SCN9A (0.51) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3161160 0.94 SCN9A (0.46) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3143229 0.94 SCN9A (0.51) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3150759 0.93 SCN9A (0.58) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3150767 0.93 SCN9A (0.58) SCN9ASCN5ASCN2ASCN3ASCN8A

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-1828182-B1 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES WARNER LAMBERT CO (US) 2010-03-10 — — EP disclosed
US-7485636-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles PFIZER INC. (US) 2009-02-03 — — US disclosed
US-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles WARNER LAMBERT COMPANY LLC (US) 2008-11-27 — — US disclosed
US-7423054-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT COMPANY LLC (US) 2008-09-09 — — US disclosed
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-09-28 — — US disclosed
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-06-01 — — 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 (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-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles P2RX3, P2RX4, ACHE SLC6A2 355/4885SLC6A4 92/4885SLC6A3 87/4885
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles P2RX3, P2RX4, ACHE SLC6A2 355/4885SLC6A4 92/4885SLC6A3 87/4885
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles P2RX3, P2RX4, ACHE SLC6A2 355/4885SLC6A4 92/4885SLC6A3 87/4885

“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.

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