SCHEMBL1270093

SCHEMBL1270093

CCCCCCCCCCCC(=O)C1C=CC=C(S(=O)(=O)[O-])C1=O.[Na+]

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 2/20 0.32
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
CES2 O00748 5/20 0.34
CES1 P23141 5/20 0.34
PRKCA P17252 1/20 0.33
FUT7 Q11130 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NR1I2 O75469 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
SCHEMBL6129344 1.00 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1341341 1.00 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL17746174 0.87 PRKCA (0.35) TSHRCES2CES1PRKCAPPARG
SCHEMBL17748986 0.87 PRKCA (0.35) TSHRCES2CES1PRKCAPPARG
SCHEMBL6129333 0.77 CA2 (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9325236 0.76 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL27607378 0.69 RECQL (0.36) RECQLGLAHPGDTSHRMAPK1
SCHEMBL5444633 0.66 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL27589475 0.65 HSD17B3 (0.39) TSHRPPARGPPARDPPARA
SCHEMBL29398892 0.62 RECQL (0.76) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323437-B2 Process for producing a bleaching activator composition KAO CORPORATION (JP) 2008-01-29 US claimed
EP-2284251-B1 Alkaline protease with an enhanced specific activity to casein KAO CORP (JP) 2014-04-30 EP disclosed
EP-1347044-B1 Alkaline protease KAO CORP (JP) 2013-12-04 EP disclosed
EP-2284251-A1 Alkaline protease Kao Corporation (JP) 2011-02-16 EP disclosed
US-7811076-B2 Alkaline protease and washing and cleaning products containing said novel alkaline protease HENKEL AG & CO. KGAA (DE) 2010-10-12 US disclosed
US-7776578-B2 Alkaline protease KAO CORPORATION (JP) 2010-08-17 US disclosed
US-20080177040-A1 ALKALINE PROTEASE KAO CORPORATION (JP) 2008-07-24 US disclosed
US-7368273-B2 Alkaline protease KAO CORPORATION (JP) 2008-05-06 US disclosed
US-7323437-B2 Process for producing a bleaching activator composition KAO CORPORATION (JP) 2008-01-29 US disclosed
EP-1548097-B1 Process for producing a bleaching activator composition KAO CORP (JP) 2007-05-16 EP disclosed
US-20070010417-A1 Novel alkaline protease and washing and cleaning products containing said novel alkaline protease B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2007-01-11 US disclosed
US-20050170984-A1 Process for producing a bleaching activator composition KAO CORPORATION (JP) 2005-08-04 US disclosed
EP-1548097-A1 Process for producing a bleaching activator composition KAO CORPORATION (JP) 2005-06-29 EP disclosed
US-20040002432-A1 Alkaline protease KAO CORPORATION (JP) 2004-01-01 US disclosed
EP-1347044-A2 Alkaline protease Kao Corporation (JP) 2003-09-24 EP disclosed
WO-2001046366-A1 DETERGENT COMPOSITIONS HAVING A POLYPHOSPHATE SALT THE PROCTER & GAMBLE COMPANY (US) 2001-06-28 WO disclosed
EP-1047760-A1 GRANULAR COMPOSITIONS HAVING IMPROVED DISSOLUTION THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 EP disclosed
WO-2000040686-A1 DETERGENT COMPOSITIONS HAVING A PROTEIN THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
WO-1999036494-A1 GRANULAR COMPOSITIONS HAVING IMPROVED DISSOLUTION THE PROCTER & GAMBLE COMPANY (US) 1999-07-22 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-20070010417-A1 Novel alkaline protease and washing and cleaning products containing said novel alkaline protease ANPEP, TMPRSS15, DNASE1 PPARG 4822/4885CA1 429/4885CA2 641/4885

“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.