SCHEMBL6540596

SCHEMBL6540596

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CNCc3ccccc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.82
POLB P06746 1/20 0.58
MAPT P10636 3/20 0.56
NAMPT P43490 1/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
PKM P14618 1/20 0.54
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
CA12 O43570 2/20 0.51
CA9 Q16790 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6541100 0.92 SMN1; SMN2 (0.68) SMN1; SMN2POLBMAPTNAMPTTP53
SCHEMBL6541404 0.90 SMN1; SMN2 (0.65) SMN1; SMN2POLBMAPTNAMPTTP53
SCHEMBL28541685 0.86 CA12 (0.60) SMN1; SMN2POLBTP53KMT2AMEN1
SCHEMBL6540593 0.85 SMN1; SMN2 (0.59) SMN1; SMN2POLBMAPTNAMPTTP53
SCHEMBL6541503 0.85 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTNAMPTTP53
SCHEMBL9417503 0.83 KMT2A (0.66) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL6540180 0.82 SMN1; SMN2 (0.55) SMN1; SMN2POLBMAPTTP53KMT2A
SCHEMBL6680443 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNAMPTKMT2AMEN1
SCHEMBL6541514 0.80 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPTNAMPTTP53
SCHEMBL6539474 0.80 SMN1; SMN2 (0.52) SMN1; SMN2POLBMAPTNAMPTTP53

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 SMN1; SMN2 2146/4885POLB 1231/4885MAPT 4502/4885

“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.