SCHEMBL304062

SCHEMBL304062

CC/C(C(=O)[O-])=C(\CC)C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 4/20 0.44
CA1 known ✓ P00915 3/20 0.41
FAHD1 Q6P587 1/20 0.44
FFAR3 O14843 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
LDHA P00338 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL447528 1.00 CA4 (0.44) CA4FAHD1FFAR3HDAC3HDAC1
Potassium Ion SCHEMBL305429 0.97 FFAR3 (0.41) CA4FAHD1FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL138684 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL2139831 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL135448 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL2139837 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL138682 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL135446 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL30561221 0.93 FFAR3 (0.39) CA4FAHD1FFAR3HDAC3HDAC1
Alcohol SCHEMBL9854483 0.88 ALDH1A1 (0.35) CA4FAHD1FFAR3HDAC3HDAC1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637481-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2026-05-26 US disclosed
US-12552815-B2 Boronic acid derivatives and synthesis, polymorphic forms, and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2026-02-17 US disclosed
US-12509475-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2025-12-30 US disclosed
US-20250064838-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2025-02-27 US disclosed
US-20250034175-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2025-01-30 US disclosed
US-20250002508-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2025-01-02 US disclosed
EP-3164406-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-12-25 EP disclosed
US-12171772-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2024-12-24 US disclosed
US-20240307422-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-09-19 US disclosed
EP-3139930-B1 SALTS AND POLYMORPHS OF CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF MELINTA THERAPEUTICS INC (US) 2024-08-14 EP disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
EP-2737900-A1 NDM INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2014-06-04 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-20120064557-A1 METHOD OF IDENTIFYING METALLO-BETA-LACTAMASE-PRODUCING BACTERIA MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-03-15 US disclosed
EP-2415875-A1 METHOD FOR IDENTIFICATION OF METALLO- B -LACTAMASE-PRODUCING BACTERIUM Meiji Seika Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (11 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CA4 637/4885CA1 727/4885FAHD1 3228/4885
US-20250002508-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF BLVRB, BBC3, BPGM CA4 654/4885CA1 2696/4885FAHD1 3809/4885
US-20240307422-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BTD CA4 212/4885CA1 1095/4885FAHD1 4238/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA4 637/4885CA1 727/4885FAHD1 3228/4885
US-20250064838-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, BCL6, SLC10A2 CA4 384/4885CA1 1340/4885FAHD1 4355/4885
US-12509475-B2 Boronic acid derivatives and therapeutic uses thereof LBR, BLVRB, SRR CA4 1228/4885CA1 1975/4885FAHD1 4675/4885
US-12637481-B2 Boronic acid derivatives and therapeutic uses thereof BBC3, BLK, BRI3BP CA4 545/4885CA1 3436/4885FAHD1 4192/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CA4 2207/4885CA1 3782/4885FAHD1 1354/4885
US-12171772-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives BCL6B, BCL6, SLC10A2 CA4 384/4885CA1 1340/4885FAHD1 4355/4885
US-12552815-B2 Boronic acid derivatives and synthesis, polymorphic forms, and therapeutic uses thereof BBC3, BLK, BRCA1 CA4 529/4885CA1 3661/4885FAHD1 2837/4885
US-20250034175-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BTD, BLK, BCL6B CA4 361/4885CA1 1408/4885FAHD1 4363/4885

“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.