SCHEMBL226338

SCHEMBL226338

O=S(=O)([O-])CCN(O)CCS(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.43

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
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPEP Q07075 2/20 0.33
BBOX1 O75936 2/20 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
SCHEMBL8042605 0.91 KDM4E (0.37) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL29284805 0.77 KDM4E (0.48) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL9324224 0.75 TSHR (0.40) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL3905800 0.74 KDM4E (0.40) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL489664 0.72 MAPT (0.50) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL1567065 0.72 SMN1; SMN2 (0.40) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL3905041 0.72 SMN1; SMN2 (0.40) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL214687 0.71 KDM4E (0.62) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL1167764 0.71 PTGS1 (0.43) LMNA
SCHEMBL3678949 0.69 GMNN (0.38) KDM4EMAPTALOX15ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985527-A IMAGES AND DYE DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1999-11-16 US claimed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-10751273-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 US disclosed
US-20180298054-A1 TARGETED NITROXIDE AGENTS University of Pittsburgh - of the Commonwealth Sys tem of Higher Education (US) 2018-10-18 US disclosed
US-9890192-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-02-13 US disclosed
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 US disclosed
US-20160151269-A1 COMPOUNDS FOR THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH AGING AND DEGENERATIVE DISORDERS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-06-02 US disclosed
EP-0595312-A1 Automatic processing machine for silver halide photographic light-sensitive materials KONICA CORPORATION (JP) 1994-05-04 EP disclosed
EP-0591934-A1 Photographic processing composition and processing method FUJI PHOTO FILM CO., LTD. (JP) 1994-04-13 EP disclosed
EP-0573761-A1 Method of forming coloured images FUJI PHOTO FILM CO., LTD. (JP) 1993-12-15 EP disclosed
EP-0569852-A1 Bleach-fixing composition for color photographic material and method for processing a color photographic material with the same Fuji Photo Film Co., Ltd. (JP) 1993-11-18 EP disclosed
EP-0565023-A1 Method for processing silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0557851-A1 Method for processing color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-01 EP disclosed
EP-0545301-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-09 EP disclosed
EP-0544322-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-02 EP disclosed
EP-0532042-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-03-17 EP disclosed
EP-0530828-A1 Photographic processing composition and processing method FUJI PHOTO FILM CO., LTD. (JP) 1993-03-10 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 (7 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-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 KDM4E 4100/4885MAPT 3025/4885ALOX15 1688/4885
US-20160151269-A1 COMPOUNDS FOR THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH AGING AND DEGENERATIVE DISORDERS GLA, AGER, SIRT1 KDM4E 3331/4885MAPT 143/4885ALOX15 626/4885
US-20180298054-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 KDM4E 2171/4885MAPT 1583/4885ALOX15 1843/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 KDM4E 2171/4885MAPT 1583/4885ALOX15 1843/4885
US-10751273-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 KDM4E 3331/4885MAPT 143/4885ALOX15 626/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 KDM4E 2171/4885MAPT 1583/4885ALOX15 1843/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 KDM4E 2171/4885MAPT 1583/4885ALOX15 1843/4885

“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.