Acetic Acid

Acetic Acid

SCHEMBL4132527

CC(=O)O.N#Cc1ccccc1-c1ccc(COc2ccc(Br)cc2C=C2SC(Nc3ccc([Na])cc3)=NC2=O)cc1

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
PTP4A3 O75365 1/20 0.39
XDH P47989 2/20 0.38
POLB P06746 4/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NSD2 O96028 1/20 0.37
PLA2G1B P04054 1/20 0.37
DNMT1 P26358 1/20 0.37
GFER P55789 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.35
CISD1 Q9NZ45 1/20 0.35

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
Acetic Acid SCHEMBL4128677 1.00 PTPN1 (0.40) PTPN1PTP4A3XDHPOLBPABPC1
Acetic Acid SCHEMBL4128299 0.92 FFAR1 (0.40) PTPN1POLBFFAR1AKR1B1MEN1
Acetic Acid SCHEMBL4128303 0.92 FFAR1 (0.40) PTPN1POLBFFAR1AKR1B1MEN1
Acetic Acid SCHEMBL4134046 0.82 PTPN1 (0.51) PTPN1PTP4A3POLBMEN1KMT2A
Acetic Acid SCHEMBL4134045 0.82 PTPN1 (0.51) PTPN1PTP4A3POLBMEN1KMT2A
Acetic Acid SCHEMBL4128382 0.79 KMT2A (0.47) POLBMEN1KMT2APLA2G1BATG4B
Acetic Acid SCHEMBL4128384 0.79 KMT2A (0.47) POLBMEN1KMT2APLA2G1BATG4B
Acetic Acid SCHEMBL4125639 0.78 PTP4A3 (0.48) PTPN1PTP4A3POLBMEN1KMT2A
Acetic Acid SCHEMBL4125635 0.78 PTP4A3 (0.48) PTPN1PTP4A3POLBMEN1KMT2A
Acetic Acid SCHEMBL4129246 0.77 PTP4A3 (0.44) PTPN1PTP4A3MEN1KMT2ALMNA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ PTPN1 7/4885PTP4A3 26/4885XDH 142/4885

“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.