Thiobenzoic Acid

Thiobenzoic Acid

SCHEMBL4832164

O=C(O)COC(=S)c1ccccc1.[Na+].[O-]C(=S)c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Thiobenzoic Acid. 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
CA2 known ✓ P00918 1/20 0.42
CA4 known ✓ P22748 1/20 0.42
PAM P19021 1/20 0.42
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CES1 P23141 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL28550151 0.89 PAM (0.50) PAMALOX15TDP1MAPK1KMT2A
Thiobenzoic Acid SCHEMBL162937 0.84 PAM (0.46) PAMALOX15TDP1MAPK1KMT2A
Thiobenzoic Acid SCHEMBL10793587 0.81 PAM (0.43) PAMALOX15TDP1MAPK1KMT2A
Thiobenzoic Acid SCHEMBL28582374 0.75 CA2 (0.55) CA2CA4TDP1KMT2ACES1
Thiobenzoic Acid SCHEMBL29374102 0.75 CA2 (0.55) CA2CA4TDP1KMT2ACES1
Thiobenzoic Acid SCHEMBL2165575 0.75 CA2 (0.55) CA2CA4TDP1KMT2ACES1
Thiobenzoic Acid SCHEMBL28468362 0.73 CA2 (0.52) CA2CA4TDP1KMT2ACES1
Thiobenzoic Acid SCHEMBL28345225 0.73 CA2 (0.52) CA2CA4TDP1KMT2ACES1
Thiobenzoic Acid SCHEMBL9416254 0.73 NPC1 (0.43) CES1MAPTALDH1A1PTPN1CES2
SCHEMBL14740677 0.72 ERCC5 (0.47) TDP1KMT2ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402690-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-07-22 US disclosed
US-20070123670-A1 Chain transfer agents for raft polymerization in aqueous media MCCORMICK CHARLES L 2007-05-31 US disclosed
US-7186786-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-03-06 US disclosed
US-7179872-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-02-20 US disclosed
US-20060111531-A1 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI 2006-05-25 US disclosed
US-20060111532-A1 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI 2006-05-25 US disclosed
US-6855840-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2005-02-15 US disclosed
US-20030195310-A1 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI 2003-10-16 US disclosed
US-20030191262-A1 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI 2003-10-09 US disclosed
WO-2003066685-A2 CHAIN TRANSFER AGENTS FOR RAFT POLYMERIZATION IN AQUEOUS MEDIA UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2003-08-14 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 (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-20030195310-A1 Chain transfer agents for raft polymerization in aqueous media TRRAP, NEFM, TMT1A CA2 1845/4885CA4 812/4885PAM 1048/4885

“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.