SCHEMBL1343283

SCHEMBL1343283

O=C(Nc1nc(C(=O)O)c(S(=O)(=O)c2ccccn2)s1)Nc1ncccc1C(=O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.34
GRM4 Q14833 7/20 0.34
PIP5K1C O60331 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL1341751 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EGAARAB9AADORA3
SCHEMBL1341365 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EGAARAB9AADORA3
SCHEMBL1341668 0.87 GRM4 (0.35) ALDH1A1RAB9AADORA3L3MBTL1RORC
SCHEMBL1339855 0.87 CCNE1 (0.35) ALDH1A1KDM4EGAARAB9AADORA3
SCHEMBL1339849 0.86 CCNE1 (0.37) ALDH1A1RAB9AADORA3L3MBTL1RORC
SCHEMBL1343603 0.86 GRM4 (0.38) ALDH1A1RAB9AL3MBTL1RORCGRM4
SCHEMBL1343468 0.86 CCNE1 (0.37) ALDH1A1RAB9AADORA3L3MBTL1RORC
SCHEMBL1342917 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EGAARORCPIP5K1C
SCHEMBL1340884 0.85 GRM4 (0.34) ALDH1A1RAB9AADORA3L3MBTL1RORC
SCHEMBL1340181 0.84 GRIK1 (0.38) KDM4ERAB9AGRM4MAPTKMT2A

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 ALDH1A1 192/4885KDM4E 992/4885GAA 48/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885GAA 48/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885KDM4E 1420/4885GAA 69/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885GAA 48/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885KDM4E 992/4885GAA 48/4885

“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.