SCHEMBL2174779

SCHEMBL2174779

Cn1cc(S(=O)(=O)Cl)c2cccc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
FBP1 P09467 2/20 0.35
BRD4 O60885 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
MAPK10 P53779 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGS2 P35354 1/20 0.31
PLCG1 P19174 1/20 0.30

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
SCHEMBL2175461 0.85 CA2 (0.44) HTR6FBP1BRD4CA1CA2
SCHEMBL2088849 0.78 FBP1 (0.47) HTR6FBP1BRD4
SCHEMBL18508887 0.75 ALDH1A1 (0.38) BRD4PTGS2
SCHEMBL2175858 0.74 NR4A2 (0.47) FBP1BRD4CA1CA2PKM
SCHEMBL27815525 0.74 SLC22A6 (0.41) HTR6FBP1L3MBTL1NPSR1PTGS2
SCHEMBL630954 0.73 L3MBTL1 (0.54) CA2L3MBTL1NPSR1
SCHEMBL2087148 0.72 FBP1 (0.43) HTR6FBP1BRD4NPSR1
SCHEMBL31399824 0.72 NPC1 (0.44) HTR6
SCHEMBL18508889 0.71 PTGS2 (0.43) BRD4PTGS2
SCHEMBL2176450 0.71 MAPT (0.43) HTR6FBP1BRD4L3MBTL1

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 HTR6 3347/4885FBP1 1/4885BRD4 1000/4885

“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.