SCHEMBL493489

SCHEMBL493489

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL493487 0.83 KEAP1 (0.52) ALDH1A1HTTLMNA
SCHEMBL4176914 0.82 PDE4D (0.61) PDE4DTSHRALDH1A1MAPK1KMT2A
SCHEMBL5128119 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1KMT2AL3MBTL1MEN1
SCHEMBL493230 0.79 PTGDR2 (0.49) PTGDR2TSHRALDH1A1KMT2AMEN1
SCHEMBL493500 0.79 LMNA (0.49) PTGDR2TSHRALDH1A1MAPK1KMT2A
SCHEMBL7205749 0.78 PDE4D (0.57) PDE4DTSHRALDH1A1MAPK1KMT2A
SCHEMBL7204715 0.77 TSHR (0.53) PDE4DTSHRALDH1A1MAPK1KMT2A
SCHEMBL5128992 0.76 GBA1 (0.44) PTGDR2ALDH1A1KMT2AMEN1HTT
SCHEMBL3812962 0.76 ALDH1A1 (0.50) PDE4DTSHRALDH1A1KMT2AMEN1
SCHEMBL7204075 0.76 PDE4D (0.55) PDE4DTSHRALDH1A1MAPK1KMT2A

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 8 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-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 PDE4D 1791/4885PTGDR2 74/4885TSHR 645/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD PDE4D 2021/4885PTGDR2 135/4885TSHR 4051/4885

“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.