SCHEMBL1238865

SCHEMBL1238865

CN(c1cccc(S(N)(=O)=O)c1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
S1PR1 P21453 2/20 0.41
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NOS1 P29475 1/20 0.39
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL1238821 0.81 CA2 (0.55) CA2CA1MEN1KMT2AKDM4E
SCHEMBL13860993 0.78 PSIP1 (0.44) CA2CA1MEN1KMT2AKDM4E
SCHEMBL9096882 0.77 CA2 (0.61) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL30365746 0.76 APLNR (0.44) CA2CA1MEN1KMT2AKDM4E
SCHEMBL29284931 0.76 APLNR (0.44) CA2CA1MEN1KMT2AKDM4E
SCHEMBL16225181 0.75 PNMT (0.38) CA2CA1MEN1KMT2AKDM4E
SCHEMBL1466290 0.74 CYP3A4 (0.37) MEN1KMT2AKDM4EALDH1A1MCOLN3
SCHEMBL27895776 0.74 CA2 (0.58) CA2CA1MEN1KMT2ACA9
SCHEMBL11692239 0.74 POLB (0.47) MEN1KMT2A
SCHEMBL1238939 0.73 KDM4E (0.48) KMT2AKDM4EALDH1A1

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 8 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
CN-101263131-B Urea glucokinase activators TRANSTECH PHARMA INC 2013-04-24 CN 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
CN-101263131-A Urea glucokinase activators NOVO NORDISK AS (US) 2008-09-10 CN 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 1189/4885CA1 3387/4885MEN1 3615/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CA2 1189/4885CA1 3387/4885MEN1 3615/4885

“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.