SCHEMBL5085943

SCHEMBL5085943

COc1ccc(S(=O)(=O)C(OCC(=O)O)C2CCCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 4/20 0.48
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5087601 0.97 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4MMP1MMP2
SCHEMBL5093741 0.87 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL5085939 0.86 KMT2A (0.43) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5093755 0.85 MEN1 (0.49) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5126221 0.83 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5088388 0.82 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL5125410 0.80 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5131957 0.79 ALDH1A1 (0.42) SLC6A3SLC6A2SLC6A4MMP1MEN1
SCHEMBL5092701 0.78 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4MMP2
SCHEMBL5125529 0.77 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A3 3945/4885SLC6A2 2372/4885SLC6A4 2704/4885

“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.