SCHEMBL6540471

SCHEMBL6540471

COc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP51A1 Q16850 1/20 0.43
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
NR1H3 Q13133 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
POLB P06746 1/20 0.40
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6540726 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1CYP51A1ADRB1
SCHEMBL6539497 0.90 TAS2R14 (0.44) L3MBTL1ALDH1A1ADRB3NR1H3TAS2R14
SCHEMBL11543319 0.88 KDM4E (0.56) L3MBTL1KDM4EALDH1A1CYP51A1ACHE
SCHEMBL6540670 0.86 OPRK1 (0.43) ADRB1ADRB3TAS2R14POLBKCNH2
SCHEMBL6540564 0.86 OPRK1 (0.43) ADRB1ADRB3TAS2R14POLBKCNH2
SCHEMBL6540568 0.86 OPRK1 (0.43) ADRB1ADRB3TAS2R14POLBKCNH2
SCHEMBL6540160 0.86 OPRK1 (0.46) ADRB3TAS2R14POLBKCNH2
SCHEMBL6540170 0.86 OPRK1 (0.46) ADRB3TAS2R14POLBKCNH2
SCHEMBL6540171 0.86 OPRK1 (0.46) ADRB3TAS2R14POLBKCNH2
SCHEMBL6540711 0.86 ADRB3 (0.42) L3MBTL1ADRB1ADRB3TAS2R14KCNH2

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 L3MBTL1 2987/4885KDM4E 2107/4885ALDH1A1 188/4885

“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.