SCHEMBL6540960

SCHEMBL6540960

O=C(O)N(CCc1ccccc1S(=O)(=O)c1cccc(O)c1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 3/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
CA4 P22748 2/20 0.39
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
MMP2 P08253 2/20 0.38
RCE1 Q9Y256 1/20 0.38
HSD11B1 P28845 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 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
SCHEMBL6539946 0.85 OPRK1 (0.51) OPRM1OPRD1OPRK1CA12CA1
SCHEMBL6541013 0.83 CA12 (0.50) OPRM1OPRD1OPRK1CA12CA1
SCHEMBL6552696 0.79 OPRM1 (0.44) OPRM1OPRD1OPRK1CA12CA1
SCHEMBL6539996 0.77 HTR6 (0.51) OPRM1OPRD1OPRK1CA12CA1
SCHEMBL6540358 0.76 MPO (0.51) CA12CA1CA2CA4POLB
SCHEMBL6539976 0.75 OPRK1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL6539968 0.75 OPRK1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL6540792 0.73 CA12 (0.55) CA12CA1CA2CA4LIMK1
SCHEMBL6541125 0.73 SMN1; SMN2 (0.51) OPRM1OPRD1OPRK1GAAGFER
SCHEMBL6798502 0.71 CA12 (0.55) CA12CA1CA2CA4LIMK1

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 OPRM1 180/4885OPRD1 68/4885OPRK1 89/4885

“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.