SCHEMBL4450094

SCHEMBL4450094

CCCCCCCCC=CCCCCCCCCNS(=O)(=O)[O-].[Na+]

nearest known ligand 0.67

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 6)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.46
CA2 known ✓ P00918 2/20 0.46
PPARA Q07869 4/20 0.67
EPHX2 P34913 3/20 0.57
FAAH O00519 2/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL4450091 1.00 PPARA (0.67) PPARAEPHX2FAAHTRPV1CA1
SCHEMBL27182799 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
SCHEMBL2591113 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
SCHEMBL124443 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
SCHEMBL6836035 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
SCHEMBL2591709 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
SCHEMBL2588569 0.89 PPARA (0.59) PPARAEPHX2CA1CA2
Methane SCHEMBL1953352 0.87 PPARA (0.57) PPARAEPHX2CA1CA2
SCHEMBL127011 0.87 PPARA (0.56) PPARAEPHX2CA1CA2
SCHEMBL29026598 0.85 PPARA (0.59) PPARACA1CA2

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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102434-A1 USES OF PURINE NUCLEOSIDASE AND AMP PHOSPHORYLASE CODEXIS, INC. (US) 2026-05-15 WO disclosed
US-12612605-B2 Carboxyesterase polypeptides for kinetic resolution CODEXIS, INC. (US) 2026-04-28 US disclosed
US-12565641-B2 Engineered terminal deoxynucleotidyl transferase variants CODEXIS, INC. (US) 2026-03-03 US disclosed
EP-4687951-A1 P450-BM3 VARIANTS WITH IMPROVED ACTIVITY Codexis, Inc. (US) 2026-02-11 EP disclosed
US-20260022366-A1 ENGINEERED NITROALDOLASES CODEXIS INC (US) 2026-01-22 US disclosed
WO-2025264722-A1 ENGINEERED 3'O-KINASE VARIANTS CODEXIS, INC. (US) 2025-12-26 WO disclosed
WO-2025264715-A1 ENGINEERED PYRUVATE OXIDASE VARIANTS 0/CODEXIS, INC. (US) 2025-12-26 WO disclosed
US-20250388940-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS, INC. (US) 2025-12-25 US disclosed
US-12473557-B2 Engineered guanylate kinase variant enzymes CODEXIS, INC. (US) 2025-11-18 US disclosed
US-20250346870-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2025-11-13 US disclosed
US-5962292-A L-PROLINE-3-HYDROXYLASE FOR EFFICIENT INDUSTRIAL HYDROXYLATION OF L-PROLINE IN PRESENCE OF 2-KETOGLUTARIC ACID AND DIVALENT IRON ION; END PRODUCT USED AS RAW MATERIAL FOR DRUGS OR ADDITIVES IN FOOD KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-10-05 US disclosed
EP-0542240-B1 Process for producing flavine nucleotides KYOWA HAKKO KOGYO KK (JP) 1999-03-31 EP disclosed
US-5854040-A Process for producing trans-4-hydroxy-L-proline KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-29 US disclosed
EP-0645457-B1 L-proline-3-hydroxylase and process for producing cis-3-hydroxy-L-proline KYOWA HAKKO KOGYO KK (JP) 1998-04-01 EP disclosed
EP-0771876-A1 PROCESS FOR PRODUCING cis-3-HYDROXY-L-PROLINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP disclosed
EP-0759472-A1 PROCESS FOR PRODUCING TRANS-4-HYDROXY-L-PROLINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-26 EP disclosed
US-5514574-A Method of producing flavine nucleotides KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-05-07 US disclosed
EP-0645457-A2 Process for producing cis-3-hydroxy-L-proline KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-03-29 EP disclosed
EP-0641862-A2 Process for producing trans-4-hydroxy-l-proline KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-03-08 EP disclosed
EP-0542240-A2 Process for producing flavine nucleotides KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-05-19 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 (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-20260022366-A1 ENGINEERED NITROALDOLASES NOS2, NOS1, NOS3 CA1 2245/4885CA2 2044/4885PPARA 2430/4885
US-12565641-B2 Engineered terminal deoxynucleotidyl transferase variants DNTT, RNGTT, POLM CA1 4319/4885CA2 3811/4885PPARA 3322/4885
US-20250346870-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS AKR1C4, AKR7A2, AKR1C2 CA1 4627/4885CA2 4818/4885PPARA 3414/4885
US-12612605-B2 Carboxyesterase polypeptides for kinetic resolution CES1, CPA1, RNGTT CA1 1552/4885CA2 767/4885PPARA 3731/4885
US-20250388940-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS DCXR, PDXK, XDH CA1 4708/4885CA2 4732/4885PPARA 3221/4885

“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.