SCHEMBL2176044

SCHEMBL2176044

Cn1cc(S(N)(=O)=O)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
CA9 Q16790 5/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MAOB P27338 2/20 0.49
AS3MT Q9HBK9 1/20 0.49
HTR6 P50406 1/20 0.47
SRD5A2 P31213 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
TTK P33981 1/20 0.44

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
SCHEMBL2175615 0.90 CA12 (0.50) MEN1NPC1RAB9AKMT2ACA9
SCHEMBL2176090 0.88 MEN1 (0.53) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL2175788 0.78 DYRK1A (0.47) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL4328766 0.78 MEN1 (0.61) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL28326780 0.75 KMT2A (0.52) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL28995408 0.75 SRD5A2 (0.51) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL21614278 0.74 CYP4F2 (0.51) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL2174841 0.74 ADORA3 (0.44) NPC1RAB9ACA9CA2CA12
SCHEMBL7387644 0.74 SRD5A2 (0.50) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL6942536 0.74 MEN1 (0.54) MEN1NPC1RAB9AKMT2AMAOB

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 MEN1 1402/4885NPC1 2662/4885RAB9A 2410/4885

“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.