SCHEMBL4617586

SCHEMBL4617586

CC(=O)N1C(c2ccccc2)=C1c1ccccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.41
MYC P01106 1/20 0.37
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
CASP1 P29466 2/20 0.34
BAZ2B Q9UIF8 2/20 0.33
BAZ2A Q9UIF9 2/20 0.33
PTGS2 P35354 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
MMP12 P39900 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
SCHEMBL1966470 0.80 SMN1; SMN2 (0.46) CES1SMN1; SMN2GAANOX1MAPT
Ethylene SCHEMBL28323501 0.75 CASP1 (0.45) MYCCASP1PTGS2SMN1; SMN2TSHR
SCHEMBL232659 0.74 CASP1 (0.47) MYCCASP1PTGS2SMN1; SMN2TSHR
SCHEMBL29743050 0.74 CASP1 (0.47) MYCCASP1PTGS2SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11757790 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR
SCHEMBL28934633 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR
Water SCHEMBL27371066 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR
Lithium SCHEMBL3173875 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR
SCHEMBL29194067 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR
SCHEMBL1870052 0.73 CASP1 (0.46) MYCCASP1PTGS2SMN1; SMN2TSHR

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-20080255091-A1 COMPOUNDS TO TREAT AMYLOIDOSIS AND PREVENT DEATH OF BETA-CELLS IN TYPE 2 DIABETES MELLITUS ASTRUM THERAPEUTICS PTY LTD. (AU) 2008-10-16 US disclosed
EP-1879564-A2 COMPOUNDS TO TREAT AMYLOIDOSIS AND PREVENT DEATH OF BETA-CELLS IN TYPE 2 DIABETES MELLITUS Astrum Therapeutics Pty, Ltd. (AU) 2008-01-23 EP disclosed
US-20060252819-A1 Compounds to treat amyloidosis and prevent death of beta-cells in type 2 diabetes mellitus ASTRUM THERAPEUTICS PTY LTD (AU) 2006-11-09 US disclosed
WO-2006110477-A2 COMPOUNDS TO TREAT AMYLOIDOSIS AND PREVENT DEATH OF BETA-CELLS IN TYPE 2 DIABETES MELLITUS ASTRUM THERAPEUTICS PTY. LTD. (AU) 2006-10-19 WO 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-20080255091-A1 COMPOUNDS TO TREAT AMYLOIDOSIS AND PREVENT DEATH OF BETA-CELLS IN TYPE 2 DIABETES MELLITUS IAPP, BCL2, AMY2A CES1 430/4885MYC 831/4885HSP90AA1 710/4885
US-20060252819-A1 Compounds to treat amyloidosis and prevent death of beta-cells in type 2 diabetes mellitus IAPP, BCL2, AMY2A CES1 430/4885MYC 831/4885HSP90AA1 710/4885

“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.