SCHEMBL493486

SCHEMBL493486

COc1ccc(S(=O)(=O)CNCCOCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP1 P03956 3/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
MMP13 P45452 4/20 0.43
HSD11B1 P28845 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PKM P14618 1/20 0.41
MMP8 P22894 3/20 0.41
MMP2 P08253 2/20 0.41

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
SCHEMBL5128116 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ATDP1HSD11B1
SCHEMBL493498 0.84 TBXA2R (0.46) ALDH1A1MMP1KMT2AMEN1MMP13
SCHEMBL493229 0.84 ALDH1A1 (0.42) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL493488 0.84 NPSR1 (0.46) HTTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL5117767 0.81 TDP1 (0.42) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL571406 0.80 BDKRB1 (0.37) HPGDTDP1
SCHEMBL15347788 0.79 BDKRB1 (0.37) HPGDTDP1
SCHEMBL4484350 0.79 TDP1 (0.36) HTTNPSR1ALDH1A1TDP1
SCHEMBL4467178 0.78 EPHX2 (0.40) MAPT
SCHEMBL5128990 0.76 TBXA2R (0.36) ALDH1A1

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 4 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-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

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 HTT 1828/4885NPSR1 3/4885ALDH1A1 2737/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD HTT 3541/4885NPSR1 371/4885ALDH1A1 1349/4885

“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.