SCHEMBL17337235

SCHEMBL17337235

CS(=O)(=O)NCCCC(=O)[O-].[Na+]

nearest known ligand 0.46

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.46
CA4 known ✓ P22748 1/20 0.35
CA12 known ✓ O43570 1/20 0.34
ALDH1A1 P00352 1/20 0.41
FFAR3 O14843 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
POLB P06746 1/20 0.39
BBOX1 O75936 4/20 0.38
NFKB1 P19838 1/20 0.36
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL7742034 0.78 FABP4 (0.50) ALDH1A1POLBNFKB1
SCHEMBL18395242 0.75 POLB (0.43) ALDH1A1POLBCA12CA14
SCHEMBL12090531 0.74 POLB (0.52) CA1ALDH1A1POLBCA12CA14
SCHEMBL2949002 0.73
SCHEMBL7416799 0.72 FABP4 (0.58) ALDH1A1POLBNFKB1
SCHEMBL397238 0.72 POLB (0.41) ALDH1A1POLBCA12CA14
SCHEMBL14740296 0.71 GRIA1 (0.52) CA1ALDH1A1POLBCA12CA14
SCHEMBL14740248 0.71 GRIA1 (0.52) CA1ALDH1A1POLBCA12CA14
SCHEMBL14739265 0.71 GRIA1 (0.52) CA1ALDH1A1POLBCA12CA14
SCHEMBL15836237 0.71 GRIA1 (0.52) CA1ALDH1A1POLBCA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882252-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2025-11-19 EP disclosed
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 EP disclosed
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 US disclosed
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 EP disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 US disclosed
EP-3154989-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2017-04-19 EP disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
WO-2015191907-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2015-12-17 WO 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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT CA1 2554/4885CA4 2648/4885CA12 2857/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA1 2554/4885CA4 2648/4885CA12 2857/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA1 2554/4885CA4 2648/4885CA12 2857/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA1 2554/4885CA4 2648/4885CA12 2857/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA1 2554/4885CA4 2648/4885CA12 2857/4885

“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.