Acetic Acid

Acetic Acid

SCHEMBL1773173

CC(=O)O.N=C(N)CC1CCN(C(=O)O)CC1

nearest known ligand 0.44

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 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.40
ITGA2B P08514 13/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
CPN1 P15169 2/20 0.37
CPB2 Q96IY4 2/20 0.37

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
SCHEMBL27877528 0.95 TPSAB1 (0.42) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1774293 0.94 TPSAB1 (0.39) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1772042 0.90 ITGB3 (0.36) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1773420 0.83 TPSAB1 (0.42) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1772702 0.81 ITGB3 (0.40) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1773187 0.81 KDM4E (0.48) TPSAB1TPSD1TPSG1
Acetic Acid SCHEMBL1773238 0.80 F2 (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL17102150 0.80 TPSAB1 (0.38) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL3904129 0.80 AKR1C3 (0.44) ITGB3ITGA2BCPN1CPB2
SCHEMBL1773177 0.79 TPSAB1 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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
CN-102712619-B 5-hydroxy pyrimidine-4-carboxamides derivatives DAIICHI SANKYO Co.,Ltd. (JP) 2015-11-25 CN disclosed
EP-2492266-B1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
EP-2492266-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-08-29 EP disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (2 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-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE EPOR, EGLN2, EGLN1 ITGB3 4004/4885ITGA2B 3775/4885TPSAB1 2203/4885
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 ITGB3 4005/4885ITGA2B 3784/4885TPSAB1 3078/4885

“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.