SCHEMBL1238818

SCHEMBL1238818

NS(=O)(=O)c1ccc(NCC2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.58
ALDH1A1 P00352 3/20 0.54
ALDH3A1 P30838 1/20 0.54
PTGS2 P35354 1/20 0.52
CA1 P00915 9/20 0.51
CA12 O43570 8/20 0.51
CA9 Q16790 8/20 0.51
PTPN7 P35236 2/20 0.49
HPGD P15428 1/20 0.49
CDK1 P06493 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48

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
SCHEMBL2482925 0.86 CNR2 (0.48) CA2ALDH1A1ALDH3A1CA1CA12
SCHEMBL1107422 0.83 ALDH1A1 (0.69) CA2ALDH1A1ALDH3A1PTGS2CDK1
SCHEMBL28184974 0.82 CA2 (0.50) CA2CA1CA12CA9CA4
SCHEMBL1238863 0.81 MEN1 (0.57) CA2PTGS2CA1CA12CA9
Sulfanilamide SCHEMBL1955933 0.81 CA2 (0.47) CA2ALDH1A1CA1CA12CA9
SCHEMBL18361697 0.80 CA2 (0.49) CA2ALDH1A1CA1CA12CA9
SCHEMBL17090038 0.78 CA2 (0.47) CA2ALDH1A1ALDH3A1CA1CA12
SCHEMBL18361749 0.76 CA1 (0.54) CA2ALDH1A1CA1CA12CA9
SCHEMBL27589391 0.76 ALDH1A1 (0.47) CA2ALDH1A1ALDH3A1CA1HPGD
SCHEMBL21799807 0.75 NFE2L2 (0.46) CA2ALDH1A1ALDH3A1RAB9AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CA2 1189/4885ALDH1A1 1040/4885ALDH3A1 866/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CA2 1189/4885ALDH1A1 1040/4885ALDH3A1 866/4885

“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.