Maleic Acid

SCHEMBL2709269

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5CC[C@H](Nc6nc(NCCc7cn(C)cn7)nc7c6ncn7[C@@H]6O[C@H](c7nnn(CC)n7)[C@@H](O)[C@H]6O)CC5)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)n1.O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PPARG SLC6A2 SLC6A3 SLC6A4 SMO TYK2 pol

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 4)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	20/20	0.61

▸	ADORA2A	P29274	20/20	0.61

▸	ADORA1	P30542	19/20	0.61

▸	ADORA2B	P29275	18/20	0.61

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.

Compound	similarity	top predicted	shared targets
Fumaric Acid SCHEMBL2709272	1.00	ADORA3 (0.61)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296838	0.94	ADORA3 (0.68)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296874	0.94	ADORA3 (0.68)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5600260	0.94	ADORA3 (0.68)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2289136	0.94	ADORA3 (0.68)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14538873	0.94	ADORA3 (0.68)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7459932	0.92	ADORA3 (0.64)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296837	0.91	ADORA3 (0.64)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13314999	0.89	ADORA3 (0.62)	ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167644	0.89	ADORA3 (0.62)	ADORA3ADORA2AADORA1ADORA2B

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1756120-B1	Purine derivative	GLAXO GROUP LTD (GB)	2012-05-02	—	—	EP	disclosed
US-7737126-B2	Purine derivative	GLAXO GROUP LIMITED (GB)	2010-06-15	—	—	US	disclosed
US-20080132526-A1	Purine Derivative	GLAXO GROUP LIMITED (GB)	2008-06-05	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20080132526-A1	Purine Derivative	ADORA2A, ADORA1, ADORA3	ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885

“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.