SCHEMBL29948591

SCHEMBL29948591

COCS(=O)(=O)c1cccc(CS(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
CYP19A1 P11511 2/20 0.35
NPC1 O15118 1/20 0.35
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
HTR6 P50406 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TXNRD1 Q16881 1/20 0.32
PGR P06401 1/20 0.32
CA9 Q16790 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL23536109 0.84 NPC1 (0.36) CYP19A1NPC1TNFRAB9ANOD1
SCHEMBL23535981 0.83 NPC1 (0.36) CYP19A1NPC1TNFRAB9ANOD1
SCHEMBL29948486 0.82 MAOB (0.40) NPC1RAB9AMAOBMAPT
SCHEMBL29931794 0.80 TSHR (0.41) CYP19A1NPC1TNFRAB9ANOD1
SCHEMBL23536153 0.80 TSHR (0.41) CYP19A1NPC1TNFRAB9ANOD1
SCHEMBL8475084 0.76 CYP19A1 (0.39) CYP19A1CA12CA2CA9
SCHEMBL29948602 0.75 NPC1 (0.62) NPC1TNFRAB9ANOD1
SCHEMBL2932623 0.74 TAAR1 (0.50) CYP19A1MAPT
SCHEMBL6913653 0.70 PSIP1 (0.60) MAOBMAPTHTR6
SCHEMBL23536115 0.69 MAOB (0.43) MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 CA12 3100/4885CA2 294/4885CYP19A1 4607/4885

“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.