SCHEMBL29950285

SCHEMBL29950285

CC(=O)Nc1ccc(C=Cc2ccc(N3C(=O)C=CC3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.58

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
TLR9 known ✓ Q9NR96 1/20 0.51
P2RY2 known ✓ P41231 2/20 0.38
RAD51 Q06609 7/20 0.58
APEX1 P27695 1/20 0.53
ENPP2 Q13822 1/20 0.52
HSP90AA1 P07900 2/20 0.51
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATAD2 Q6PL18 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL175579 0.89 ENPP2 (0.67) RAD51APEX1ENPP2HSP90AA1TLR9
SCHEMBL31508347 0.89 ENPP2 (0.67) RAD51APEX1ENPP2HSP90AA1TLR9
SCHEMBL175578 0.89 ENPP2 (0.67) RAD51APEX1ENPP2HSP90AA1TLR9
SCHEMBL31389366 0.86 RAD51 (0.73) RAD51APEX1ENPP2ALDH1A1HPGD
SCHEMBL7555621 0.78 RAD51 (0.61) RAD51APEX1ENPP2ALDH1A1MAPT
SCHEMBL19210840 0.76 RAD51 (0.64) RAD51APEX1ENPP2ALDH1A1HPGD
SCHEMBL19210836 0.74 RAD51 (0.59) RAD51APEX1ENPP2ALDH1A1PKM
SCHEMBL2333709 0.73 RAD51 (1.00) RAD51APEX1ENPP2ALDH1A1HPGD
SCHEMBL29627175 0.73 RAD51 (1.00) RAD51APEX1ENPP2ALDH1A1HPGD
SCHEMBL2415107 0.73 RAD51 (1.00) RAD51APEX1ENPP2ALDH1A1HPGD

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
US-20240207207-A1 METHODS FOR MITIGATING AND PREVENTING PROTEOSTASIS-BASED INJURIES SAN DIEGO STATE UNIV SDSU FOUNDATION DBA SAN DIEGO STATE UNIV RESEARCH FOUNDATION (US) 2024-06-27 US disclosed
WO-2023034232-A1 A SMALL MOLECULE THERAPEUTIC FOR FRIEDREICH'S ATAXIA AND TAUOPATHY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-03-09 WO disclosed
US-20220299532-A1 CORRECTING PROTEIN MISFOLDING IN DIABETES Sanford Burnham Prebys Medical Discovery Institute 2022-09-22 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-20240207207-A1 METHODS FOR MITIGATING AND PREVENTING PROTEOSTASIS-BASED INJURIES ATF4, XBP1, HSPA5 TLR9 3877/4885P2RY2 4149/4885RAD51 1472/4885

“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.