SCHEMBL25835

SCHEMBL25835

Cc1c(NCS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+]

nearest known ligand 0.60

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 18)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.55
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 5/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 2/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
POLB P06746 1/20 0.54
F2 P00734 1/20 0.54

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
SCHEMBL11061329 0.85 GAA (0.62) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL3280911 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL8940421 0.80 GAA (0.65) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL27472857 0.78 GAA (0.62) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL1476459 0.77 KDM4E (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8940124 0.77 KDM4E (0.68) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL537958 0.75 KDM4E (0.69) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL2523863 0.75 KDM4E (0.62) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL4447238 0.74 KDM4E (0.68) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL8651089 0.74 KDM4E (0.68) ALDH1A1KDM4EMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401633-A Pest control method, pest control agent composition, and pest control agent set 日本曹达株式会社 2022-04-26 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
EP-4168092-B1 BALLOON CATHETER WITH PRECISION DRUG-ELUTING CAPABILITY BARD INC C R (US) 2026-05-27 EP disclosed
US-20260097102-A1 Treatment Of Respiratory Disorders With Arachidonate 15-Lipoxygenase (ALOX15) Inhibitors REGENERON PHARMA (US) 2026-04-09 US disclosed
US-12472241-B2 Treatment of respiratory disorders with arachidonate 15-lipoxygenase (ALOX15) inhibitors REGENERON PHARMACEUTICALS, INC. (US) 2025-11-18 US disclosed
US-12458392-B2 Scoring balloon with translating scoring wires C.R. BARD, INC. (US) 2025-11-04 US disclosed
CN-222476374-U Coking wastewater treatment equipment 内蒙古伊泰同达煤炭有限责任公司 2025-02-14 CN disclosed
US-12167883-B2 Medical device including expandable muscle polymer BARD PERIPHERAL VASCULAR, INC. (US) 2024-12-17 US disclosed
EP-4210606-B1 MEDICAL DEVICE INCLUDING EXPANDABLE MUSCLE POLYMER BARD PERIPHERAL VASCULAR INC (US) 2024-05-01 EP disclosed
EP-3970643-B1 SCORING BALLOON WITH TRANSLATING SCORING WIRES BARD INC C R (US) 2024-04-17 EP disclosed
WO-1996032120-A1 ANIONIC OXYGEN RADICALS CONTAINING THERAPEUTIC AGENTS AND THEIR USE IN PAIN RELIEF GOLDSTEIN & LEWIN TECHNOLOGY GMBH (DE) 1996-10-17 WO disclosed
US-5492937-A ALKYL HYDROXYALKYL CELLULOSE AS WATER SOLUBLE NONIONIC CELLULOSE ETHER USED AS CARRIER WITH CATIONIC OR ANIONIC SURFACTANT PHARMACIA AB (SE) 1996-02-20 US disclosed
US-5446070-A Flexible, finite, bioadhesive, therapeutical agent in solid form NOVER PHARMACEUTICALS, INC. (US) 1995-08-29 US disclosed
WO-1995016465-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ALKYL POLYOXYALKYLENE CARBOXYLATES SANDOZ LTD. (CH) 1995-06-22 WO disclosed
EP-0558586-A1 A GEL-FORMING LIQUID CARRIER COMPOSITION. KABI PHARMACIA AB (SE) 1993-09-08 EP disclosed
WO-1992009307-A1 A GEL-FORMING LIQUID CARRIER COMPOSITION KABI PHARMACIA AB (SE) 1992-06-11 WO disclosed
US-4503145-A DIAGNOSIS OF LIVER DISORDERS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-05 US disclosed
US-4478942-A CATIONIC DYE BOUND TO ANIONIC POLYMER FOR ASSAY OF HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 US disclosed
US-4418037-A PYROGALLOL DERIVATIVE STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1983-11-29 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-20260097102-A1 Treatment Of Respiratory Disorders With Arachidonate 15-Lipoxygenase (ALOX15) Inhibitors ALOX15, ALOX15B, ALOX5 PTGS2 34/4885ALDH1A1 900/4885KDM4E 3612/4885

“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.