SCHEMBL1240988

SCHEMBL1240988

CN(c1ccc(F)c(C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
AR P10275 10/20 0.41
EPHX1 P07099 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TRPA1 O75762 1/20 0.37
KCNN4 O15554 1/20 0.36
NOTUM Q6P988 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MCHR1 Q99705 1/20 0.34
S1PR3 Q99500 1/20 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
SCHEMBL1241520 0.83 S1PR3 (0.39) TAS1R3TAS1R1TAS1R2TRPA1S1PR3
SCHEMBL1241993 0.81 S1PR3 (0.39) TAS1R3TAS1R1TAS1R2S1PR3
SCHEMBL20274218 0.81 JAK3 (0.36) ARPDE3BPDE3ATRPA1
SCHEMBL1241082 0.81 CHRM5 (0.39) TAS1R3TAS1R1TAS1R2TRPA1S1PR3
SCHEMBL4899422 0.79 AR (0.53) AR
SCHEMBL1241024 0.79 AXL (0.40) TAS1R3TAS1R1TAS1R2TRPA1S1PR3
SCHEMBL20274175 0.78 AR (0.52) AR
SCHEMBL29161898 0.77 JAK3 (0.35) ARS1PR3
SCHEMBL18517389 0.77 AR (0.46) ARHDAC8
SCHEMBL1242070 0.76 ALDH1A1 (0.44)

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 TAS1R3 3815/4885TAS1R1 3308/4885TAS1R2 2527/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 TAS1R3 3815/4885TAS1R1 3308/4885TAS1R2 2527/4885

“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.