SCHEMBL7043048

SCHEMBL7043048

O=S(=O)(Oc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 2/20 0.42
KCNH2 Q12809 1/20 0.39
ABCB1 P08183 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37

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
SCHEMBL6540032 0.85 POLB (0.46) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6478257 0.83 POLB (0.50) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6538577 0.82 POLB (0.49) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6538633 0.82 POLB (0.49) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7246502 0.81 POLB (0.48) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7688955 0.81 OPRD1 (0.44) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7686428 0.81 ADRB1 (0.49) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7040315 0.80 POLB (0.49) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6539970 0.80 GAA (0.51) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7037437 0.79 ALDH1A1 (0.52) POLBALDH1A1MAPTGAAABCB1

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 POLB 1141/4885ALDH1A1 103/4885MAPT 3887/4885

“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.