SCHEMBL2174841

SCHEMBL2174841

Cn1cc(S(N)(=O)=O)c2cccc(OCc3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
FBP1 P09467 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
BRD4 O60885 2/20 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
SCHEMBL2176450 0.88 MAPT (0.43) ADORA3ADORA1ADORA2AMAPTL3MBTL1
SCHEMBL2087997 0.81 FBP1 (0.43) CA1CA2CA9CA12FBP1
SCHEMBL2087675 0.80 BRD4 (0.48) MAPTCA1CA2CA9CA12
SCHEMBL2088016 0.77 FBP1 (0.40) MAPK1TDP1CA2FBP1SMN1; SMN2
SCHEMBL2176670 0.77 FBP1 (0.44) TDP1CA1CA2CA9CA12
SCHEMBL1093358 0.77 ALDH1A1 (0.47) ADORA3ADORA1ADORA2AMAPTL3MBTL1
SCHEMBL2177271 0.76 KDM4E (0.47) MAPTMAPK1CA1CA2CA9
SCHEMBL1013565 0.75 CA1 (0.56) MAPTL3MBTL1MAPK1TDP1CA1
SCHEMBL2176044 0.74 MEN1 (0.53) CA1CA2CA9CA12CA4
SCHEMBL2175615 0.74 CA12 (0.50) CA1CA2CA9CA12CA4

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 5 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
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN 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 ADORA3 2149/4885ADORA1 1220/4885ADORA2A 3271/4885

“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.