SCHEMBL6540427

SCHEMBL6540427

COc1ccc(S(=O)(=O)c2ccc(CCCNCc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ATM Q13315 1/20 0.62
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA4 P22748 2/20 0.61
BCHE P06276 3/20 0.58
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
CHRM2 P08172 1/20 0.55
HTT P42858 1/20 0.55
SLC6A5 Q9Y345 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51

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
SCHEMBL6540208 0.92 MEN1 (0.73) MEN1KMT2AATMCA12CA1
SCHEMBL6676685 0.89 CHRM2 (0.51) MEN1KMT2AATMCA12CA1
SCHEMBL6552032 0.89 MEN1 (0.71) MEN1KMT2AATMBCHEALDH1A1
SCHEMBL9520509 0.89 MEN1 (0.71) MEN1KMT2AATMBCHEALDH1A1
SCHEMBL6541181 0.83 CA1 (0.58) CA12CA1CA2CA9CA4
SCHEMBL6540047 0.82 MEN1 (0.60) MEN1KMT2AATMCA12CA1
SCHEMBL8099595 0.82 SIGMAR1 (0.68) MEN1KMT2AATMBCHEALDH1A1
SCHEMBL6540109 0.81 BCHE (0.59) MEN1KMT2AATMCA12CA1
SCHEMBL10032816 0.80 MEN1 (0.85) MEN1KMT2AATMCA12CA1
SCHEMBL12131075 0.80 MEN1 (0.85) MEN1KMT2AATMCA12CA1

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 MEN1 4140/4885KMT2A 432/4885ATM 2195/4885

“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.