SCHEMBL2176133

SCHEMBL2176133

COc1ccc2sc(S(=O)(=O)Cl)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.72
BACE1 P56817 1/20 0.54
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
CLK1 P49759 10/20 0.48
DYRK1A Q13627 3/20 0.48
DYRK1B Q9Y463 1/20 0.48
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2174521 0.87 CA2 (0.72) CA2BACE1PDE3BPDE3AKDM4E
SCHEMBL2087596 0.84 CA2 (1.00) CA2BACE1PDE3BPDE3A
SCHEMBL787824 0.78 AKR1B1 (0.52) CA2NPC1
SCHEMBL29055848 0.76 CA2 (0.45) CA2ALDH1A1MAPTTDP1
SCHEMBL2089536 0.76 CA2 (0.45) CA2KDM4E
SCHEMBL7258257 0.75 CA2 (0.44) CA2NPC1RAB9A
SCHEMBL4580171 0.73 BACE1 (0.67) CA2BACE1PDE3BPDE3ACLK1
SCHEMBL829683 0.73 CA2 (0.57) CA2BACE1PDE3BPDE3ACLK1
SCHEMBL8800196 0.72 TRPV4 (0.43) CA2CLK1DYRK1ADYRK1BALDH1A1
SCHEMBL11653706 0.72 NPC1 (0.51) CA2PDE3BPDE3ADYRK1ANPC1

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-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 (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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 CA2 1616/4885BACE1 567/4885PDE3B 1515/4885

“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.