SCHEMBL1342817

SCHEMBL1342817

Cc1ccc(NC(=O)Nc2ncc(CCCC(=O)O)s2)c(OCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK14 Q16539 7/20 0.39
MAPK13 O15264 3/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
LPAR1 Q92633 2/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
AURKA O14965 2/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
AURKB Q96GD4 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1342497 0.89 ITGB1 (0.42) MAPK14MAPK13ITGB1ITGA4CCNE1
SCHEMBL6696013 0.87 AURKA (0.39) MAPK14MAPK13LPAR1AURKAMYC
SCHEMBL1343648 0.86 FFAR1 (0.43) ITGB1ITGA4
SCHEMBL1340531 0.86 AURKA (0.40) MAPK14MAPK13CDK2LPAR1AURKA
SCHEMBL6695295 0.85 AURKA (0.40) MAPK14MAPK13CDK2LPAR1AURKA
SCHEMBL2661995 0.85 ITGB1 (0.39) MAPK14MAPK13ITGB1ITGA4CCNE1
SCHEMBL1343244 0.85 AURKA (0.40) MAPK14MAPK13LPAR1AURKAAURKB
SCHEMBL1342940 0.85 FFAR1 (0.38) MAPK14MAPK13ITGB1ITGA4
SCHEMBL1343187 0.85 LPAR1 (0.39) MAPK14MAPK13LPAR1MYCMAX
SCHEMBL1342849 0.85 LPAR1 (0.39) MAPK14MAPK13LPAR1MYCMAX

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 ADRB2 2856/4885ADRB1 2315/4885ADRB3 1671/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ADRB2 2856/4885ADRB1 2315/4885ADRB3 1671/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ADRB2 3191/4885ADRB1 2332/4885ADRB3 1263/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ADRB2 2856/4885ADRB1 2315/4885ADRB3 1671/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ADRB2 2856/4885ADRB1 2315/4885ADRB3 1671/4885

“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.