SCHEMBL4448825

SCHEMBL4448825

CS(=O)(=O)CCC(=O)OS

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NLRP3 Q96P20 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1968935 0.78 TSHR (0.57) KMT2ACA12CA14TSHR
SCHEMBL9913959 0.74 CYP1A2 (0.48) KMT2ATSHR
SCHEMBL7418776 0.73 CA12 (0.37) KMT2ACA12CA14
SCHEMBL504194 0.73 TSHR (0.44) TSHR
SCHEMBL11249462 0.72
SCHEMBL20267233 0.71 DGKA (0.45)
SCHEMBL28025340 0.71 NLRP3 (0.38) NLRP3
SCHEMBL23174294 0.70 TSHR (0.42) TSHR
SCHEMBL4647014 0.70 TSHR (0.42) TSHR
SCHEMBL2771038 0.70 TSHR (0.42) TSHR

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
WO-2009037556-A1 NEW AGENTS FOR THE TREATMENT OF THE LOW URINARY TRACT DYSFUNCTIONS CTG PHARMA S.R.L. (IT) 2009-03-26 WO claimed
WO-2009037556-A1 NEW AGENTS FOR THE TREATMENT OF THE LOW URINARY TRACT DYSFUNCTIONS CTG PHARMA S.R.L. (IT) 2009-03-26 WO disclosed