SCHEMBL1241972

SCHEMBL1241972

FC(F)(F)Oc1cccc(NCC2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CFD P00746 1/20 0.43
GALR2 O43603 1/20 0.43
GALR1 P47211 1/20 0.43
FLT3 P36888 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1240850 0.82 POLB (0.60) ALDH1A1KDM4EPOLBEPHX2MAPT
SCHEMBL22414310 0.81 POLB (0.62) ALDH1A1KDM4EPOLBEPHX2MAPT
SCHEMBL12480776 0.80 CHRNB4 (0.42) PIM1CFDKCNH2CYP2D6
SCHEMBL12480778 0.80 CHRNB4 (0.42) PIM1CFDKCNH2CYP2D6
SCHEMBL11936200 0.79 SLC22A12 (0.42) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL11936202 0.78 SLC6A9 (0.41) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL30288262 0.78 RXFP1 (0.61) PIM1ALDH1A1POLBEPHX2GAA
SCHEMBL1241128 0.78 RXFP1 (0.61) PIM1ALDH1A1POLBEPHX2GAA
SCHEMBL11934812 0.77 EPHX2 (0.43) PIM1POLBEPHX2MAPT
SCHEMBL13438680 0.77 EPHX2 (0.43) PIM1POLBEPHX2MAPT

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 PIM1 1137/4885ALDH1A1 1040/4885KDM4E 637/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PIM1 1137/4885ALDH1A1 1040/4885KDM4E 637/4885

“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.