SCHEMBL962001

SCHEMBL962001

Cc1nc(N)sc1SC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.45
KCNH2 Q12809 1/20 0.40
PRMT6 Q96LA8 1/20 0.37
CYP1A2 P05177 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 4/20 0.33
PIK3CG P48736 2/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MYC P01106 2/20 0.33
WDR5 P61964 2/20 0.33

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
SCHEMBL2173608 0.74
SCHEMBL3838512 0.69 NOS1 (0.46) NOS1CYP1A2HRH2HRH1HRH4
SCHEMBL1797908 0.69
SCHEMBL25295015 0.68 NOS1 (0.50) NOS1PRMT6CYP1A2HRH2HRH1
SCHEMBL12314726 0.68 MYC (0.57) NOS1CYP1A2HRH2HRH1HRH4
Hydrochloric Acid SCHEMBL27821550 0.67 NOS1 (0.48) NOS1PRMT6CYP1A2HRH2HRH1
SCHEMBL2924360 0.65 NOS1 (0.42) NOS1CYP1A2HRH2HRH1HRH4
SCHEMBL9049768 0.64 MEN1 (0.42) NOS1CYP1A2HRH2HRH1HRH4
SCHEMBL25916624 0.64 HRH2 (0.55) NOS1PRMT6CYP1A2HRH2HRH1
SCHEMBL361464 0.63

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 10 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
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 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
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN 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
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 NOS1 3033/4885KCNH2 3035/4885PRMT6 1222/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 NOS1 1890/4885KCNH2 4178/4885PRMT6 411/4885

“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.