SCHEMBL304941

SCHEMBL304941

CC(C)/C(C(=O)[O-])=C(\Cc1ccc(C(=O)N2CCC(O)CC2)cc1)C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.38
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.38
GRM5 P41594 1/20 0.43
GRM3 Q14832 1/20 0.42
HRH3 Q9Y5N1 6/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
NAMPT P43490 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
VNN1 O95497 1/20 0.38
PRMT5 O14744 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL15751213 1.00 GRM5 (0.43) GRM5GRM3HRH3HSP90AA1HSP90AB1
SCHEMBL304171 0.85 HPGD (0.45) HRH3KMT2AALDH1A1LMNAHPGD
SCHEMBL10193641 0.84 GRM5 (0.47) GRM5GRM3HRH3HSP90AA1HSP90AB1
SCHEMBL304942 0.83 GRM5 (0.46) GRM5GRM3HRH3HSP90AA1HSP90AB1
SCHEMBL304940 0.83 GRM5 (0.46) GRM5GRM3HRH3HSP90AA1HSP90AB1
SCHEMBL304834 0.77 CA2 (0.46) CA1CA2MAPT
SCHEMBL15751335 0.75 PLA2G10 (0.39) CA1CA2
SCHEMBL305148 0.75 PLA2G10 (0.39) CA1CA2
SCHEMBL10076236 0.73 GRM5 (0.56) GRM5GRM3HSP90AA1HSP90AB1KMT2A
SCHEMBL15751228 0.73 POLB (0.36) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US 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 (4 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 CA12 909/4885CA1 727/4885CA2 313/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA12 909/4885CA1 727/4885CA2 313/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CA12 3188/4885CA1 3782/4885CA2 2545/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA12 953/4885CA1 921/4885CA2 355/4885

“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.