SCHEMBL1961118

SCHEMBL1961118

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

nearest known ligand 0.36

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 9)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.32
CA4 known ✓ P22748 1/20 0.31
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL2937133 1.00 CYP3A4 (0.33) CYP3A4CA2TDP1CA4RECQL
Ethylene SCHEMBL25418134 0.98 CYP3A4 (0.32) CYP3A4CA2TDP1CA4RECQL
Potassium Ion SCHEMBL11909775 0.97 CYP3A4 (0.33) CYP3A4TDP1RECQLTSHRMAPT
SCHEMBL6418327 0.97 CYP3A4 (0.33) CYP3A4TDP1RECQLTSHRMAPT
Ethylene Glycol SCHEMBL20135732 0.95 CYP3A4 (0.30) CYP3A4
SCHEMBL2937130 0.88 CYP3A4 (0.32) CYP3A4CA2TDP1CA4TSHR
Phenol SCHEMBL1777269 0.86 CYP3A4 (0.40) CYP3A4TSHR
SCHEMBL1081592 0.86
SCHEMBL1629058 0.83 CA4 (0.33) CA2CA4
SCHEMBL87407 0.82 CASP1 (0.36) CYP3A4TDP1RECQLTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802369-B2 Laminated light-blocking decorative articles EASTMAN KODAK COMPANY (US) 2023-10-31 US claimed
US-20230304217-A1 LAMINATE PRECURSOR ROLLS AND LAMINATED DECORATIVE ARTICLES EASTMAN KODAK COMPANY 2023-09-28 US claimed
US-11746463-B2 Method for preparing laminated precursor rolls EASTMAN KODAK COMPANY (US) 2023-09-05 US claimed
US-20230232829-A1 HIGH-LOAD HALOXYFOP ESTER COMPOSITIONS CORTEVA AGRISCIENCE LLC 2023-07-27 US claimed
CN-116375396-A Self-cleaning rock slice real stone paint and preparation method thereof 天津德普威涂料有限公司 2023-07-04 CN claimed
CN-116215027-A Novel vegetable film and preparation process thereof 山东亚新塑料包装有限公司 2023-06-06 CN claimed
CN-116217776-A Water-based acrylic emulsion for mesh fabric and preparation method thereof 上海保立佳新材料有限公司 2023-06-06 CN claimed
CN-112708954-B Rose plant extract cellulose fiber and preparation method thereof 青岛邦特生态纺织科技有限公司 2023-02-17 CN claimed
CN-115612498-A Eluting agent for eluting petroleum-polluted soil and eluting method 中国石油化工股份有限公司 2023-01-17 CN claimed
US-11549213-B2 Method for making laminated light-blocking decorative article EASTMAN KODAK COMPANY (US) 2023-01-10 US claimed
WO-1992022613-A1 OZONE-FRIENDLY CORRECTION FLUID THE GILLETTE COMPANY (US) 1992-12-23 WO claimed
EP-0079836-B1 COMPOSITIONS BASED ON WATER-SOLUBLE GUMS, THEIR PREPARATION AND THEIR USE RHONE-POULENC CHIMIE (FR) 1987-01-21 EP claimed
EP-0079837-B1 COMPOSITIONS BASED ON WATER-SOLUBLE GUMS, THEIR PREPARATION AND USE RHONE-POULENC CHIMIE (FR) 1987-01-21 EP claimed
EP-0080879-B1 PHARMACEUTICAL COMPOSITION CONTAINING INTERFERON IN STABLE STATE SUNSTAR KABUSHIKI KAISHA (JP) 1986-10-01 EP claimed
US-4605555-A INTERFERON, POLYHYDRIC SUGAR ALCOHOL, ORGANIC ACID BUFFER SUN STAR KABUSHIKI KAISHA (JP) 1986-08-12 US claimed
US-4605556-A APPLYING INTERFERON, POLYHYDRIC SUGAR ALCOHOL, AND ORGANIC ACID BUFFER SUN STAR KABUSHIKI KAISHA (JP) 1986-08-12 US claimed
EP-0080879-A2 Pharmaceutical composition containing interferon in stable state SUNSTAR KABUSHIKI KAISHA (JP) 1983-06-08 EP claimed
US-4171958-A PORPHYRIN COMPOUND AND A METAL ALKYL SULFOSUCCINATE PHILLIPS PETROLEUM COMPANY (US) 1979-10-23 US claimed
US-4127383-A LIGNOSULFONATE GRAHAM-WHITE SALES CORPORATION (US) 1978-11-28 US claimed
US-4068054-A PORPHYRIN COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1978-01-10 US claimed

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-20230232829-A1 HIGH-LOAD HALOXYFOP ESTER COMPOSITIONS HDHD5, LIPA, CETP CA2 2298/4885CA4 2327/4885CYP3A4 2694/4885

“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.