SCHEMBL4279768

SCHEMBL4279768

CCc1c(OC(C)=O)cccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 2/20 0.40
CA5A P35218 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL27496747 0.82 PTGS2 (0.50) PTGS2MAPK1KDM4EALDH1A1BLM
SCHEMBL3705401 0.81 CA2 (0.47) CA1CA2CA9CA12CA5A
SCHEMBL11043927 0.80 PTGS2 (0.50) PTGS2CA1CA2CA9CA12
SCHEMBL30953901 0.80 CA1 (0.52) CA1CA2CA9CA12ALDH1A1
SCHEMBL8984373 0.79 ACHE (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL3049926 0.78 PTGS2 (0.44) PTGS2MAPK1KDM4EALDH1A1BLM
SCHEMBL6219779 0.78 PTGS2 (0.44) PTGS2MAPK1KDM4EALDH1A1BLM
SCHEMBL15333841 0.76 CA2 (0.37) CA1CA2CA9CA12CA5A
SCHEMBL6016708 0.76 PTPN1 (0.54) PTGS2MAPK1KDM4EALDH1A1BLM
SCHEMBL4909007 0.75 CASP1 (0.43) CA1CA2CA9CA12KDM4E

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS2 1158/4885CA1 1756/4885CA2 1192/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 PTGS2 197/4885CA1 1364/4885CA2 682/4885

“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.