SCHEMBL6541459

SCHEMBL6541459

COc1ccc(S(=O)(=O)c2ccc(C=O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ CYP2A6 P11509 1/20 0.73
▸ GAA P10253 1/20 0.61
▸ RAPGEF4 Q8WZA2 1/20 0.50
▸ HSD11B1 P28845 1/20 0.49
▸ STS P08842 1/20 0.48
▸ CA2 P00918 4/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ LOX P28300 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ HTT P42858 1/20 0.46

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
Anisaldehyde SCHEMBL1100 0.85 ALDH1A1 (1.00) ALDH1A1CYP2A6STSCA2PTGS2
Anisaldehyde SCHEMBL717471 0.85 ALDH1A1 (1.00) ALDH1A1CYP2A6STSCA2PTGS2
SCHEMBL13074716 0.85 PKM (1.00) PKMALDH1A1GAARAPGEF4HSD11B1
SCHEMBL835692 0.85 PKM (1.00) PKMALDH1A1GAARAPGEF4HSD11B1
SCHEMBL14486413 0.85 PKM (1.00) PKMALDH1A1GAARAPGEF4HSD11B1
SCHEMBL6854376 0.84 STS (0.52) PKMALDH1A1CYP2A6STSHTT
Anisaldehyde SCHEMBL888255 0.84 ALDH1A1 (0.79) PKMALDH1A1CYP2A6STSCA2
SCHEMBL19214423 0.84 ALDH1A1 (0.66) PKMALDH1A1CYP2A6STSMMP1
Anisaldehyde SCHEMBL1475478 0.83 ALDH1A1 (0.95) ALDH1A1CYP2A6CA2PTGS2CA12
Anisaldehyde SCHEMBL11255570 0.83 ALDH1A1 (0.95) ALDH1A1CYP2A6CA2PTGS2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-08-10 — — US disclosed
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 — — US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 — — 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 (2 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PKM 1997/4885ALDH1A1 188/4885CYP2A6 2568/4885
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE NBAS, SSB, BIRC5 PKM 4784/4885ALDH1A1 4014/4885CYP2A6 4089/4885

“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.

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