SCHEMBL1342097

SCHEMBL1342097

CSc1sc(NC(=O)Nc2cnccc2C(=O)C2CCCC2)nc1CNS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
CDK5 Q00535 4/20 0.36
FBP1 P09467 2/20 0.35
PTGS1 P23219 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
CLK1 P49759 1/20 0.33
PTGS2 P35354 2/20 0.32
CNR1 P21554 1/20 0.32
ABL1 P00519 1/20 0.32
RORC P51449 1/20 0.31
MAPT P10636 2/20 0.31
GSK3B P49841 1/20 0.31
GAA P10253 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
NAMPT P43490 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1342923 0.94 CCNE1 (0.36) CCNE1CDK2CDK5FBP1PTGS1
SCHEMBL1343799 0.90 CLK1 (0.36) CCNE1CDK2CDK5PTGS1KDM4C
SCHEMBL1342611 0.89 CCNE1 (0.35) CCNE1CDK2CDK5PTGS1KDM4C
SCHEMBL1340346 0.89 CCNE1 (0.35) CCNE1CDK2CDK5PTGS1KDM4C
SCHEMBL1343411 0.89 ALDH1A1 (0.37) CDK5FBP1CLK1RORCMAPT
SCHEMBL1342041 0.87 KDM4C (0.36) CCNE1CDK2CDK5KDM4CCNR1
SCHEMBL1339883 0.87 CCNE1 (0.38) CCNE1CDK2CDK5FBP1KDM4C
SCHEMBL1342643 0.87 CCNE1 (0.33) CCNE1CDK2CDK5PTGS1PTGS2
SCHEMBL1342618 0.86 CA12 (0.34) CCNE1CDK2CDK5MAPTGAA
SCHEMBL1341951 0.85 FBP1 (0.38) FBP1CLK1MAPTGAAPIK3CD

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 11 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
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US 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 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 CCNE1 4222/4885CDK2 1126/4885CDK5 1506/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885

“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.