SCHEMBL6540697

SCHEMBL6540697

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N(Cc3ccccc3)C[C@H](O)c3cccc(C#N)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 1/20 0.41
OPRK1 P41145 1/20 0.38
CNR1 P21554 9/20 0.38
CNR2 P34972 6/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6540702 1.00 POLB (0.44) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6540712 0.88 TP53 (0.51) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6540707 0.88 TP53 (0.51) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6540591 0.87 MAPT (0.49) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6540594 0.87 MAPT (0.49) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6541159 0.81 ADRB3 (0.48)
SCHEMBL6541165 0.81 ADRB3 (0.48)
SCHEMBL6676696 0.78 TP53 (0.41) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6806332 0.78 TP53 (0.41) POLBTP53SMN1; SMN2MAPTMAPK1
SCHEMBL6541458 0.77 MAPT (0.40) TP53MAPTOPRK1CNR1CNR2

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 1231/4885TP53 3788/4885SMN1; SMN2 2146/4885

“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.