SCHEMBL872698

SCHEMBL872698

COCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HTT P42858 2/20 0.36
S1PR3 Q99500 1/20 0.36
SNCA P37840 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGER4 P35408 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 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
SCHEMBL8664631 0.92 AOC2 (0.36) ALDH1A1HTTS1PR3SNCAPTGER4
SCHEMBL5861877 0.92 AOC2 (0.36) ALDH1A1HTTS1PR3SNCAPTGER4
SCHEMBL10317771 0.91 S1PR3 (0.37) ALDH1A1HTTS1PR3SNCAHPGD
SCHEMBL9010034 0.89 PTGS2 (0.38) ALDH1A1S1PR3SNCAHSD17B10LMNA
SCHEMBL8750988 0.88 S1PR3 (0.41) ALDH1A1HTTS1PR3HPGDMAPT
SCHEMBL10596213 0.86 ALDH1A1 (0.41) ALDH1A1HTTSNCAHSD17B10LMNA
SCHEMBL900004 0.84 GAA (0.38) ALDH1A1HTTS1PR3SNCAHSD17B10
SCHEMBL6543321 0.83 LMNA (0.39) ALDH1A1HTTS1PR3SNCAHSD17B10
SCHEMBL29006523 0.83 PTGS2 (0.45) S1PR3SNCAKDM4E
SCHEMBL8958833 0.83 ALDH1A1 (0.36) ALDH1A1HTTS1PR3SNCAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
US-11053222-B2 Fluorescent compounds PIERCE BIOTECHNOLOGY, INC. (US) 2021-07-06 US disclosed
US-10730857-B2 Benzocyanine compounds PIERCE BIOTECHNOLOGY, INC. (US) 2020-08-04 US disclosed
US-10696653-B2 Cyanine compounds PIERCE BIOTECHNOLOGY, INC. (US) 2020-06-30 US disclosed
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-12 US disclosed
US-10351551-B2 Fluorescent compounds PIERCE BIOTECHNOLOGY, INC. (US) 2019-07-16 US disclosed
EP-3081564-B1 INDOLE DERIVATIVES AS LABELING DYE FOR BIOMOLECULE PIERCE BIOTECHNOLOGY INC (US) 2019-07-10 EP disclosed
US-20190084964-A1 Benzocyanine Compounds PIERCE BIOTECHNOLOGY, INC. (US) 2019-03-21 US disclosed
US-20180327387-A1 Cyanine Compounds PIERCE BIOTECHNOLOGY, INC. (US) 2018-11-15 US disclosed
US-10125120-B2 Benzocyanine compounds PIERCE BIOTECHNOLOGY, INC. (US) 2018-11-13 US disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5567783-A FLEXIBLE, AMORPHOUS POLYMER; SOLID ELECTROLYTES THE PENN STATE RESEARCH FOUNDATION (US) 1996-10-22 US disclosed
WO-1996027630-A1 IONICALLY CONDUCTIVE POLYPHOSPHAZENES WITH ETHER SIDEGROUPS THE PENN STATE RESEARCH FOUNDATION (US) 1996-09-12 WO disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed
US-4761475-A 2,4-diaminopyrimidines substituted with heterobicyclomethyl radicals at the 5 position useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1988-08-02 US disclosed
US-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 US disclosed
US-4587342-A 2,4-diamino-(substituted-benzopyran(quinolyl,isoquinoly)methyl)pyrimidines useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1986-05-06 US disclosed
EP-0051879-B1 SUBSTITUTED PYRIMIDINES, THEIR SYNTHESIS AND COMPOSITIONS CONTAINING THEM, THEIR USE IN MEDICINE AND INTERMEDIATES FOR MAKING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 EP disclosed
EP-0051879-A2 Substituted pyrimidines, their synthesis and compositions containing them, their use in medicine and intermediates for making them THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-19 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 (8 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-10351551-B2 Fluorescent compounds NCL, FUS, EFTUD2 ALDH1A1 2481/4885HTT 107/4885S1PR3 4213/4885
US-20180327387-A1 Cyanine Compounds NCL, NOP58, NAT10 ALDH1A1 3956/4885HTT 218/4885S1PR3 4450/4885
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator ADH1A, ADH1C, AP3M1 ALDH1A1 51/4885HTT 4409/4885S1PR3 3140/4885
US-10696653-B2 Cyanine compounds NCL, NOP58, NAT10 ALDH1A1 3956/4885HTT 218/4885S1PR3 4450/4885
US-10730857-B2 Benzocyanine compounds TBCA, BCAT1, BCAT2 ALDH1A1 2580/4885HTT 132/4885S1PR3 4437/4885
US-10125120-B2 Benzocyanine compounds TBCA, BCAT1, BCAT2 ALDH1A1 2580/4885HTT 132/4885S1PR3 4437/4885
US-11053222-B2 Fluorescent compounds NCL, FUS, EFTUD2 ALDH1A1 2481/4885HTT 107/4885S1PR3 4213/4885
US-20190084964-A1 Benzocyanine Compounds TBCA, BCAT1, BCAT2 ALDH1A1 2580/4885HTT 132/4885S1PR3 4437/4885

“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.