SCHEMBL5087601

SCHEMBL5087601

COc1ccc(S(=O)(=O)C(OCC(=O)O)C2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MMP2 P08253 6/20 0.43
MMP1 P03956 5/20 0.43
MMP3 P08254 5/20 0.43
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP13 P45452 4/20 0.39
MMP7 P09237 2/20 0.39
MMP8 P22894 2/20 0.39
MMP9 P14780 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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 0.97 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3MMP2MMP1
SCHEMBL5093741 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL5085939 0.83 KMT2A (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5125410 0.83 SLC6A3 (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5093755 0.82 MEN1 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5092701 0.81 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3MMP2MMP9
SCHEMBL5126221 0.80 SLC6A3 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5088388 0.78 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL5131957 0.76 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3MMP1HTT
SCHEMBL6323515 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MMP2MMP1

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 SLC6A2 957/4885SLC6A4 869/4885SLC6A3 1577/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A2 2372/4885SLC6A4 2704/4885SLC6A3 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.