SCHEMBL7250436

SCHEMBL7250436

O=[N+]([O-])c1ccc(OCC(O)CN(Cc2ccccc2)[C@@H](O)CCc2ccc(OCc3ccccc3)cc2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRB1 P08588 6/20 0.41
ADRB3 P13945 5/20 0.41
ADRB2 P07550 5/20 0.41
CYP19A1 P11511 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
BCHE P06276 2/20 0.39
BCL2 P10415 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 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
SCHEMBL7173615 0.87 AR (0.42) ARPOLBTDP1ADRB1ADRB3
SCHEMBL7037109 0.84 BCHE (0.43) POLBBCHE
SCHEMBL7246404 0.83 BCHE (0.44) POLBBCHE
SCHEMBL7245999 0.78 CTSV (0.41) POLBBCHE
SCHEMBL7251318 0.74 BCHE (0.48) POLBBCHE
SCHEMBL7252038 0.73 BCHE (0.44) POLBBCHE
SCHEMBL7037102 0.71 MAPT (0.39) ADRB1ADRB3
SCHEMBL7176605 0.71 ABCB1 (0.44) POLBBCHE
SCHEMBL7252017 0.71 BCHE (0.42) ADRB1ADRB3ADRB2BCHE
SCHEMBL7041666 0.70 ADRB1 (0.41) ARPOLBADRB1ADRB3ADRB2

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 AR 790/4885POLB 1141/4885TDP1 1663/4885

“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.