Acetic Acid

SCHEMBL719624

CC(=O)O.CC(=O)O.CCN=C(NCC)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 AVPR1A AVPR1B AVPR2 BDKRB2 CALCR CHRNA3 CHRNB4 ESR1 ESR2 GHSR GNRHR GSC1 HSPA8 MALT1 MC1R MC4R NOS1 NOS2 NOS3 OPRK1 OXTR RAMP1 RAMP2 RAMP3 SCN5A SSTR1 SSTR2 SSTR3 SSTR4 SSTR5 dacA dacB dacC folP ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Acetic 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)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR known ✓	P30968	3/20	0.64

▸	MC4R known ✓	P32245	1/20	0.53

▸	MC1R known ✓	Q01726	1/20	0.53

▸	ABCB11	O95342	1/20	0.59

▸	DRD1	P21728	1/20	0.58

▸	OPRM1	P35372	1/20	0.58

▸	MRGPRX2	Q96LB1	1/20	0.58

▸	KISS1R	Q969F8	5/20	0.57

▸	CXCL8	P10145	8/20	0.56

▸	ABCC2	Q92887	1/20	0.56

▸	MC5R	P33032	1/20	0.53

▸	MC3R	P41968	1/20	0.53

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
Detirelix Acetate SCHEMBL635713	0.96	GNRHR (0.70)	GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL29406059	0.95	GNRHR (0.68)	GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL29893517	0.95	GNRHR (0.68)	GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL422026	0.95	GNRHR (0.68)	GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL32670260	0.92	GNRHR (0.74)	GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL722712	0.92	GNRHR (0.74)	GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL11099432	0.90	KISS1R (0.63)	GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL28837464	0.88	GNRHR (0.78)	GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL11093628	0.86	PTGS1 (0.63)	GNRHRABCB11KISS1RCXCL8ABCC2
SCHEMBL11125288	0.86	PTGS1 (0.64)	GNRHRDRD1OPRM1MRGPRX2KISS1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20120053122-A1	METHOD FOR THE PROPHYLAXIS OR TREATMENT OF FLUSHING	MAATSCHAP INTERNE GENEESKUNDE RIJNSTATE	2012-03-01	—	—	US	disclosed
EP-2379099-A1	Method for the prophylaxis or treatment of flushing	Maatschap Interne Geneeskunde Rijnstate (NL)	2011-10-26	—	—	EP	disclosed
WO-2010085145-A1	Method for the prophylaxis or treatment of flushing	MAATSCHAP INTERNE GENEESKUNDE RIJNSTATE (NL)	2010-07-29	—	—	WO	disclosed
CN-101657211-A	Use of lhrh antagonists for the treatment of lower urinary tract symptoms, in particular overactive bladder and/or detrusor overactivity	AETERNA ZENTARIS GMBH DE	2010-02-24	—	—	CN	disclosed
EP-2131854-A1	USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY	Aeterna Zentaris Gmbh (DE)	2009-12-16	—	—	EP	disclosed
US-20090075937-A1	LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS	AETERNA ZENTARIS GMBH (DE)	2009-03-19	—	—	US	disclosed
WO-2008107446-A1	USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY	ÆTERNA ZENTARIS GMBH (DE)	2008-09-12	—	—	WO	disclosed
EP-1967202-A1	Use of LHRH Antagonists for the Treatment of Lower Urinary Tract Symptoms, in particular Overactive Bladder and/or Detrusor Overactivity	AEterna Zentaris GmbH (DE)	2008-09-10	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20090075937-A1	LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS	LHCGR, GNRHR, FSHR	GNRHR 2/4885MC4R 72/4885MC1R 14/4885

“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.