SCHEMBL3133306

SCHEMBL3133306

O=S(=O)([O-])CCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1.[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 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 4/20 0.36
▸ CA2 known ✓ P00918 4/20 0.36
▸ PTGS2 known ✓ P35354 3/20 0.36
▸ CA4 known ✓ P22748 2/20 0.36
▸ CA12 known ✓ O43570 1/20 0.35
▸ ALDH1A1 P00352 7/20 0.60
▸ MAPT P10636 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ GLA P06280 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ GAA P10253 3/20 0.60
▸ S1PR2 O95136 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ ATM Q13315 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ S1PR4 O95977 1/20 0.60
▸ S1PR1 P21453 1/20 0.60
▸ ERAP1 Q9NZ08 1/20 0.60
▸ KMT2A Q03164 5/20 0.55

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
SCHEMBL4830373 0.88 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL3139976 0.87 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL11251929 0.84 MAPT (0.70) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL9319047 0.84 MAPT (0.70) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL11544710 0.82 MAPT (0.67) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL9319012 0.82 MAPT (0.61) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL11476192 0.81 MAPT (0.60) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL9283208 0.81 MAPT (0.69) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL3138995 0.80 KDM4E (0.64) ALDH1A1MAPTKDM4EGLALMNA
SCHEMBL554460 0.80 KDM4E (0.64) ALDH1A1MAPTKDM4EGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101120046-B Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE 2011-02-23 — — CN claimed
US-20080214706-A1 Moulded Object Exhibiting a Polychromatic Effect, Associated Light Device and Resin ARKEMA FRANCE (FR) 2008-09-04 — — US claimed
EP-1848763-B1 MOULDED OBJECT EXHIBITING A POLYCHROMATIC EFFECT, ASSOCIATED LIGHT DEVICE AND RESIN ARKEMA FRANCE (FR) 2008-04-16 — — EP claimed
CN-101120046-A Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE (FR) 2008-02-06 — — CN claimed
US-12303582-B2 Composition for the treatment of nail fungus OYSTERSHELL NV (BE) 2025-05-20 — — US disclosed
US-20210299022-A1 COMPOSITION FOR THE TREATMENT OF NAIL FUNGUS OYSTERSHELL NV (BE) 2021-09-30 — — US disclosed
EP-3884933-A1 COMPOSITION FOR THE TREATMENT OF NAIL FUNGUS Oystershell NV (BE) 2021-09-29 — — EP disclosed
US-20210155879-A1 Cleaning Compositions RECKITT BENCKISER VANISH B.V. (NL) 2021-05-27 — — US disclosed
CN-101120046-B Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE 2011-02-23 — — CN disclosed
US-7641765-B2 Applying slurry containing optical brighteners BASF AKTIENGESELLSCHAFT (DE) 2010-01-05 — — US disclosed
EP-1438197-B1 METHOD FOR INCREASING THE WHITENESS OF PAPER BY MEANS OF CATIONIC POLYELECTROLYTES BASF SE (DE) 2008-10-15 — — EP disclosed
US-20080214706-A1 Moulded Object Exhibiting a Polychromatic Effect, Associated Light Device and Resin ARKEMA FRANCE (FR) 2008-09-04 — — US disclosed
US-20040154764-A1 Applying slurry containing optical brighteners BASF AKTIENGESELLSCHAFT (DE) 2004-08-12 — — US disclosed
EP-1438197-A2 METHOD FOR INCREASING THE WHITENESS OF PAPER BY MEANS OF CATIONIC POLYELECTROLYTES BASF AKTIENGESELLSCHAFT (DE) 2004-07-21 — — EP disclosed
EP-1419298-A1 METHOD FOR PRODUCTION OF COATED PAPER WITH EXTREME WHITENESS BASF AKTIENGESELLSCHAFT (DE) 2004-05-19 — — EP disclosed
WO-2003052205-A1 METHOD FOR PRODUCING PAPER, PAPERBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 — — WO disclosed
WO-2003022924-A1 POLYMER DISPERSIONS COMPRISING VINYLAMIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 — — WO disclosed
WO-2003021041-A2 METHOD FOR INCREASING THE WHITENESS OF PAPER BY MEANS OF CATIONIC POLYELECTROLYTES BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 — — WO disclosed
WO-2003020808-A1 REINFORCEMENT OF THE EFFECT OF OPTICAL BRIGHTENERS BY MEANS OF POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 — — WO disclosed
WO-2003016624-A1 METHOD FOR PRODUCTION OF COATED PAPER WITH EXTREME WHITENESS BASF AKTIENGESELLSCHAFT (DE) 2003-02-27 — — 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 (2 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-12303582-B2 Composition for the treatment of nail fungus DPM1, PIK3C3, ETF1 CA1 1300/4885CA2 595/4885PTGS2 4367/4885
US-20210299022-A1 COMPOSITION FOR THE TREATMENT OF NAIL FUNGUS DPM1, PIK3C3, ETF1 CA1 1300/4885CA2 595/4885PTGS2 4367/4885

“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.

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