SCHEMBL6799685

SCHEMBL6799685

O=C(O)N(CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL6804523 0.84 LMNA (0.45) ESR1LMNANPC1ALOX15TSHR
SCHEMBL6540822 0.82 TAS2R14 (0.57) ESR1LMNATAS2R14TSHRMEN1
SCHEMBL6798502 0.82 CA12 (0.55) ESR1TAS2R14CA12CA1CA2
SCHEMBL6540370 0.81 ESR1 (0.51) ESR1TAS2R14CA12CA1CA2
SCHEMBL10904942 0.80 CA12 (0.66) ESR1ALDH1A1LMNANPC1CYP1A2
SCHEMBL10894645 0.79 PKM (0.56) ESR1ALDH1A1LMNACYP1A2PTGS1
SCHEMBL9265599 0.79 LMNA (0.45) ESR1LMNANPC1ALOX15TSHR
SCHEMBL9272880 0.79 PTGS1 (0.50) ESR1LMNANPC1ALOX15TSHR
SCHEMBL419556 0.78 LMNA (0.73) ALDH1A1LMNANPC1CYP1A2PTGS1
SCHEMBL6539996 0.78 HTR6 (0.51) ESR1TAS2R14CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ESR1 3850/4885ALDH1A1 168/4885LMNA 3890/4885

“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.