SCHEMBL4081217

SCHEMBL4081217

COc1c(C)cc(S(=O)(=O)N(C)COCC(=O)O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BDKRB1 P46663 1/20 0.32

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
SCHEMBL12317312 0.88 BDKRB1 (0.40) ALDH1A1LMNASMN1; SMN2HTTKDM4E
SCHEMBL4094980 0.78 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTKDM4E
SCHEMBL4084750 0.75 BDKRB1 (0.40) ALDH1A1HTTKDM4EBDKRB1
SCHEMBL9844867 0.66 MCL1 (0.41) HTTKDM4EPKMPOLBHPGD
SCHEMBL15372721 0.66 BDKRB1 (0.57) LMNAPOLBGAATSHRBDKRB1
SCHEMBL492920 0.66 BDKRB1 (0.47) BDKRB1
SCHEMBL1038076 0.65 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HTTPKM
SCHEMBL2307620 0.65 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL29733677 0.65 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL5122615 0.65 KDM4E (0.39) ALDH1A1HTTKDM4EBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885LMNA 1162/4885SMN1; SMN2 1771/4885

“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.