SCHEMBL6540317

SCHEMBL6540317

O=C(O)N(Cc1ccccc1)[C@H](CO)Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.50
ESR1 P03372 1/20 0.45
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
OPRD1 P41143 10/20 0.40
OPRK1 P41145 10/20 0.40
OPRM1 P35372 7/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL9012916 0.84 MEN1 (0.49) OPRK1MEN1KMT2AL3MBTL1
SCHEMBL6541359 0.84 TAS2R14 (0.48) TAS2R14ESR1FNTAFNTBOPRD1
SCHEMBL6540352 0.79 MEN1 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL6540822 0.77 TAS2R14 (0.57) TAS2R14ESR1FNTAFNTBMEN1
SCHEMBL7420161 0.75 OPRD1 (0.56) TAS2R14OPRD1OPRK1OPRM1KMT2A
SCHEMBL7420165 0.75 OPRD1 (0.56) TAS2R14OPRD1OPRK1OPRM1KMT2A
SCHEMBL6541038 0.72 CNR1 (0.47) OPRD1OPRK1MEN1KMT2A
SCHEMBL6539625 0.71 BACE1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL6798502 0.71 CA12 (0.55) TAS2R14ESR1L3MBTL1
SCHEMBL1642165 0.70 KMT2A (0.51) MEN1KMT2AL3MBTL1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 TAS2R14 3056/4885ESR1 2525/4885FNTA 3666/4885

“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.