Acetic Acid

Acetic Acid

SCHEMBL4291054

CC(=O)O.NCCCCC(N)C(=O)N(C(=O)C(N)Cc1ccc(O)cc1)C(CCCCN)C(=O)O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 13)

geneUniProtsupporting neighboursconfidence
▸ MC4R known ✓ P32245 3/20 0.42
▸ SLC7A5 Q01650 1/20 0.49
▸ LNPEP Q9UIQ6 2/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ MC5R P33032 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ CTSB P07858 1/20 0.39
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL6275119 0.98 SLC7A5 (0.51) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL30191467 0.90 MC4R (0.48) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL29014900 0.89 SLC7A5 (0.45) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL9318101 0.88 SLC7A5 (0.49) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL28206144 0.85 SLC7A5 (0.49) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL28206148 0.85 SLC7A5 (0.49) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL27920888 0.85 MC4R (0.52) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL27920890 0.85 MC4R (0.52) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL27920904 0.85 MC4R (0.52) SLC7A5LNPEPERAP2ITGB3ITGA2B
SCHEMBL29221573 0.82 MC4R (0.47) SLC7A5LNPEPERAP2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 — — US disclosed
WO-2008156654-A2 CYTOSKELETON MODULATORS FOR TREATING METABOLIC DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-12-24 — — WO 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS MC4R 923/4885SLC7A5 2903/4885LNPEP 2667/4885

“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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