SCHEMBL1342358

SCHEMBL1342358

O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2ncc[nH]2)s1)Nc1ccc(C(F)(F)F)cc1C(=O)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NTRK2 Q16620 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRAF P15056 5/20 0.33
KDR P35968 5/20 0.33
MGLL Q99685 1/20 0.33
RXFP1 Q9HBX9 4/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CSNK1D P48730 1/20 0.32
IDH2 P48735 1/20 0.31
GRM4 Q14833 1/20 0.31
CCR2 P41597 1/20 0.31
VCP P55072 1/20 0.31
USP2 O75604 1/20 0.31
USP8 P40818 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
SCHEMBL1339918 0.91 NPC1 (0.33) ALDH1A1TP53MAPTGRM4
SCHEMBL1342251 0.91 ALDH1A1 (0.33) ALDH1A1RXFP1TP53MAPTGRM4
SCHEMBL1342832 0.90 GRM4 (0.33) NTRK1NTRK2ALDH1A1TP53MAPT
SCHEMBL1342289 0.90 MAPT (0.33) NTRK1NTRK2ALDH1A1RXFP1TP53
SCHEMBL1340912 0.89 GRM4 (0.35) NTRK1CCNCCDK8NTRK2BRAF
SCHEMBL1342316 0.89 KDR (0.35) ALDH1A1BRAFKDRRXFP1CSNK1D
SCHEMBL4819863 0.89 NTRK1 (0.33) NTRK1NTRK2ALDH1A1RXFP1MAPT
SCHEMBL2650219 0.89 GRM4 (0.32) NTRK1NTRK2ALDH1A1TP53MAPT
SCHEMBL1341024 0.89 MAPT (0.38) ALDH1A1TP53MAPT
SCHEMBL1341534 0.88 TP53 (0.37) NTRK1CCNCCDK8NTRK2MGLL

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 2877/4885CCNC 3437/4885CDK8 1144/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885CCNC 3437/4885CDK8 1144/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 NTRK1 2954/4885CCNC 3425/4885CDK8 924/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885CCNC 3437/4885CDK8 1144/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NTRK1 2877/4885CCNC 3437/4885CDK8 1144/4885

“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.