SCHEMBL1340106

SCHEMBL1340106

O=C(Nc1nc(CSc2ccccc2)c(Sc2ncc[nH]2)s1)Nc1ccc(C(F)(F)F)cc1C(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MGLL Q99685 1/20 0.35
RXFP1 Q9HBX9 5/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CSNK1D P48730 1/20 0.32
ADRB2 P07550 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
CCR2 P41597 1/20 0.32
GLP1R P43220 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
VCP P55072 1/20 0.31
IGF1R P08069 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL1341350 0.91 GSK3B (0.35) NTRK1NTRK2TP53MAPTALDH1A1
SCHEMBL1341372 0.90 NTRK1 (0.34) NTRK1NTRK2RXFP1TP53MAPT
SCHEMBL1343263 0.90 NTRK1 (0.34) NTRK1NTRK2RXFP1TP53MAPT
SCHEMBL1342304 0.90 NTRK1 (0.34) NTRK1NTRK2TP53MAPTALDH1A1
SCHEMBL1342410 0.90 CSNK1D (0.34) NTRK1NTRK2CCNCCDK8MGLL
SCHEMBL2651700 0.88 PRMT5 (0.34) NTRK1NTRK2RXFP1TP53MAPT
SCHEMBL1340466 0.88 MGLL (0.38) NTRK1NTRK2CCNCCDK8MGLL
SCHEMBL1342995 0.88 MAPT (0.34) NTRK1NTRK2TP53MAPT
SCHEMBL1342555 0.88 MAPT (0.38) TP53MAPTALDH1A1
SCHEMBL1342421 0.87 CCNE1 (0.33) NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 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 (5 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885CCNC 3437/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885CCNC 3437/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 NTRK1 2954/4885NTRK2 3135/4885CCNC 3425/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885CCNC 3437/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885NTRK2 3094/4885CCNC 3437/4885

“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.