SCHEMBL6540032

SCHEMBL6540032

O=S(=O)(c1ccccc1)c1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.39
ADRB1 P08588 5/20 0.39
ADRB3 P13945 4/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB2 P07550 1/20 0.38
ABCB1 P08183 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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

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
SCHEMBL6478257 0.86 POLB (0.50) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7043048 0.85 POLB (0.43) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL6538633 0.85 POLB (0.49) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL6538577 0.85 POLB (0.49) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL6539970 0.84 GAA (0.51) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7246502 0.83 POLB (0.48) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7686428 0.83 ADRB1 (0.49) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7040315 0.83 POLB (0.49) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL7037437 0.82 ALDH1A1 (0.52) POLBALDH1A1GAAMAPTTSHR
SCHEMBL6538833 0.82 ADRB3 (0.61) POLBALDH1A1MAPTMAPK1ADRB1

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 POLB 1231/4885ALDH1A1 188/4885GAA 3888/4885

“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.