Acetic Acid

Acetic Acid

SCHEMBL23201172

CC(=O)O.N=C(N)c1ccc(CNC(=O)O)cc1

nearest known ligand 0.55

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 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.55
F2 P00734 10/20 0.55
KMT2A Q03164 1/20 0.53
TPSAB1 Q15661 1/20 0.52
KLKB1 P03952 3/20 0.52
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
C1S P09871 1/20 0.51
PRSS3 P35030 1/20 0.51
NQO2 P16083 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MASP2 O00187 1/20 0.48

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
SCHEMBL5901036 0.86 KMT2A (0.66) ST14F2KMT2ATPSAB1KLKB1
Acetic Acid SCHEMBL28588266 0.81 HPN (0.54) ST14F2TPSAB1
SCHEMBL26112506 0.80 KMT2A (0.61) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16162038 0.80 EPHX2 (0.58) KMT2ATPSAB1KLKB1CYP1A2CYP2D6
SCHEMBL23201134 0.80 ST14 (0.55) ST14F2TPSAB1KLKB1PLG
SCHEMBL8290747 0.80 F7 (0.60) ST14F2KMT2ATPSAB1KLKB1
SCHEMBL23201173 0.80 ST14 (0.51) ST14F2KMT2ATPSAB1KLKB1
SCHEMBL5592702 0.78 HDAC1 (0.51) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8269694 0.78 HDAC1 (0.56) ST14F2TPSAB1KLKB1CYP2C19
SCHEMBL11533429 0.78 CYP2C9 (0.65) KMT2ATPSAB1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-03-21 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 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 (5 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-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ST14 2729/4885F2 4221/4885KMT2A 2885/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ST14 2716/4885F2 4188/4885KMT2A 2987/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ST14 2729/4885F2 4221/4885KMT2A 2885/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ST14 2716/4885F2 4188/4885KMT2A 2987/4885
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ST14 2729/4885F2 4221/4885KMT2A 2885/4885

“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.