SCHEMBL2511007

SCHEMBL2511007

CC(=CCCCS(=O)(=O)O)C(=O)[O-].[Na+]

nearest known ligand 0.34

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 3)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.31
APP P05067 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL4251605 1.00 APP (0.34) APPEPHX2CA4
Potassium Ion SCHEMBL514903 0.98 APP (0.35) APPEPHX2
Potassium Ion SCHEMBL514904 0.98 APP (0.35) APPEPHX2
Lithium Ion SCHEMBL28840842 0.96 APP (0.34) APPEPHX2
Potassium Ion SCHEMBL11801337 0.93 EPHX2 (0.41) APPEPHX2
Potassium Ion SCHEMBL16010565 0.91 EPHX2 (0.43) APPEPHX2
Potassium Ion SCHEMBL16009058 0.91 EPHX2 (0.43) APPEPHX2
SCHEMBL4162092 0.89 CA4 (0.33) CA4
SCHEMBL676893 0.89 CA4 (0.33) CA4
Potassium Ion SCHEMBL5050696 0.86 PTGS1 (0.31) EPHX2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317131-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 US claimed
US-20130203812-A1 IONIC SILICONE HYDROGELS COMPRISING PHARMACEUTICAL AND/OR NUTRICEUTICAL COMPONENTS AND HAVING IMPROVED HYDROLYTIC STABILITY JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-08-08 US claimed
US-8501832-B2 Polymeric compositions comprising at least one volume excluding polymer JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-08-06 US claimed
US-20120283353-A1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE, INC. 2012-11-08 US claimed
US-20120212703-A1 POLYMERIC COMPOSITIONS COMPRISING AT LEAST ONE VOLUME EXCLUDING POLYMER JOHNSON & JOHNSON VISION CARE, INC. 2012-08-23 US claimed
US-20070056900-A1 Use of copolymers containing n-vinyl lactam for producing functionalized membranes BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
EP-3970970-B1 RETROREFLECTIVE SHEET, USE AND PRODUCTION METHOD KIWA CHEMICAL IND CO LTD (JP) 2023-08-23 EP disclosed
US-20220155501-A1 RETROREFLECTIVE SHEET KIWA CHEMICAL INDUSTRY CO., LTD. (JP) 2022-05-19 US disclosed
EP-3521371-B1 METHOD FOR PRODUCING SEMI-IPN COMPOSITE DAINIPPON INK & CHEMICALS (JP) 2021-06-16 EP disclosed
US-10836902-B2 Method for producing semi-IPN composite DIC CORPORATION (JP) 2020-11-17 US disclosed
US-10603876-B2 Flexible display apparatus SAMSUNG SDI CO., LTD. (KR) 2020-03-31 US disclosed
US-10476037-B2 Flexible display apparatus SAMSUNG SDI CO., LTD. (KR) 2019-11-12 US disclosed
EP-3521371-A1 METHOD FOR PRODUCING SEMI-IPN COMPOSITE DIC Corporation (JP) 2019-08-07 EP disclosed
US-5342722-A Blend of polyester and a styrene-acrylic copolymer MITSUBISHI RAYON COMPANY LTD. (JP) 1994-08-30 US disclosed
EP-0381457-B1 Method of treating polyester fibers, polyester fibers treated by said method, and composite composed of said polyester fibers and nitrile group-containing highly saturated copolymer rubber NIPPON ZEON CO (JP) 1994-06-15 EP disclosed
US-5286783-A Adhesive for bonding fibers to rubber NIPPON ZEON CO., LTD. (JP) 1994-02-15 US disclosed
EP-0573705-A1 Toner resin composition and process for preparing same MITSUBISHI RAYON CO., LTD (JP) 1993-12-15 EP disclosed
US-5122397-A Bonding embedded fibers to nitrile rubber by vulcanization; hoses, ribbed belts NIPPON ZEON CO., LTD. (JP) 1992-06-16 US disclosed
US-4245992-A Discharge printing process for cellulosic fabrics using a quaternary amine polymer TORAY INDUSTRIES, INC. (JP) 1981-01-20 US disclosed
US-3980622-A Polymerizable emulsifying agent and application thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-09-14 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-20130203812-A1 IONIC SILICONE HYDROGELS COMPRISING PHARMACEUTICAL AND/OR NUTRICEUTICAL COMPONENTS AND HAVING IMPROVED HYDROLYTIC STABILITY IGFBP6, IGFBP1, IGFBP2 CA4 3609/4885APP 2139/4885EPHX2 3724/4885

“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.