SCHEMBL6540540

SCHEMBL6540540

COC=Cc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.66
GAA P10253 1/20 0.56
ESR1 P03372 2/20 0.50
CYP1A1 P04798 2/20 0.50
PTGS2 P35354 2/20 0.50
CYP1B1 Q16678 2/20 0.50
AHR P35869 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
ABL1 P00519 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
ABCB1 P08183 1/20 0.50
ALOX5 P09917 1/20 0.50
BCR P11274 1/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50

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
SCHEMBL6540537 1.00 PKM (0.66) PKMGAAESR1CYP1A1PTGS2
SCHEMBL7868088 0.85 KDM4E (0.64) ESR1CYP1A1PTGS2CYP1B1AHR
SCHEMBL28662974 0.85 KDM4E (0.64) ESR1CYP1A1PTGS2CYP1B1AHR
SCHEMBL13074716 0.81 PKM (1.00) PKMGAAPTGS2ALDH1A1CA1
SCHEMBL14486413 0.81 PKM (1.00) PKMGAAPTGS2ALDH1A1CA1
SCHEMBL835692 0.81 PKM (1.00) PKMGAAPTGS2ALDH1A1CA1
SCHEMBL6541459 0.80 PKM (0.73) PKMGAAPTGS2ALDH1A1PTGS1
SCHEMBL5645713 0.78 MAOB (0.46) PTGS2
SCHEMBL5645715 0.78 MAOB (0.46) PTGS2
SCHEMBL5798973 0.77 PTGS2 (0.60) PKMESR1CYP1A1PTGS2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PKM 1997/4885GAA 3888/4885ESR1 2525/4885

“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.