SCHEMBL1342940

SCHEMBL1342940

Cc1ccc(NC(=O)Nc2ncc(CSc3ccc(CCC(=O)O)cc3)s2)c(OCC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
SIRT2 Q8IXJ6 4/20 0.38
MAPK14 Q16539 4/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PPARD Q03181 1/20 0.36
MAPK13 O15264 2/20 0.36
S1PR1 P21453 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2662424 0.95 FFAR1 (0.38) FFAR1ITGB1ITGA4SIRT2PPARG
SCHEMBL1343806 0.92 SIRT2 (0.39) ITGB1ITGA4SIRT2MAPK14KDM4E
SCHEMBL6697415 0.89 HTT (0.41) SIRT2LMNAHTTKMT2AL3MBTL1
SCHEMBL1342714 0.89 SMN1; SMN2 (0.45) SIRT2KDM4ELMNATP53HTT
SCHEMBL2662425 0.88 SIRT2 (0.36) FFAR1SIRT2MAPK14KDM4ELMNA
SCHEMBL1343648 0.87 FFAR1 (0.43) FFAR1ITGB1ITGA4PPARG
SCHEMBL1342415 0.87 MAPK14 (0.41) SIRT2MAPK14LMNAMAPK13KMT2A
SCHEMBL1343338 0.86 SIRT2 (0.38) ITGB1ITGA4SIRT2MAPK14KDM4E
SCHEMBL1343350 0.85 FFAR1 (0.38) FFAR1ITGB1ITGA4MAPK14MAPK13
SCHEMBL1342817 0.85 ADRB2 (0.40) ITGB1ITGA4MAPK14MAPK13

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 FFAR1 1515/4885ITGB1 4337/4885ITGA4 4172/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 FFAR1 1515/4885ITGB1 4337/4885ITGA4 4172/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 FFAR1 2162/4885ITGB1 4210/4885ITGA4 4068/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 FFAR1 1515/4885ITGB1 4337/4885ITGA4 4172/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 FFAR1 1515/4885ITGB1 4337/4885ITGA4 4172/4885

“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.