SCHEMBL5093755

SCHEMBL5093755

COc1ccc(S(=O)(=O)C(OCC(=O)O)C2CCCCN2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
DHFR P00374 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5085943 0.85 SLC6A3 (0.48) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5085939 0.83 KMT2A (0.43) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5087601 0.82 SLC6A2 (0.44) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5126221 0.82 SLC6A3 (0.39) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5132120 0.81 CYP46A1 (0.43) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5125410 0.78 SLC6A3 (0.35) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL5125529 0.76 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL5093741 0.75 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL5093763 0.74 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL5132149 0.74 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (2 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 MEN1 1340/4885KMT2A 2892/4885SLC6A3 1577/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD MEN1 4132/4885KMT2A 1749/4885SLC6A3 3945/4885

“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.