SCHEMBL1340912

SCHEMBL1340912

O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2ccccn2)s1)Nc1ccc(C(F)(F)F)cc1C(=O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.35
MGLL Q99685 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CSNK1D P48730 1/20 0.33
BRAF P15056 3/20 0.32
KDR P35968 3/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
ELOVL3 Q9HB03 1/20 0.32
SORT1 Q99523 1/20 0.32
CCR2 P41597 5/20 0.32
RXFP1 Q9HBX9 3/20 0.32
NTRK1 P04629 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
NTRK2 Q16620 1/20 0.31
CETP P11597 1/20 0.31
ADRB2 P07550 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 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
SCHEMBL1342353 0.91 GRM4 (0.37) GRM4TP53MAPT
SCHEMBL1342604 0.90 GRM4 (0.36) GRM4CSNK1DBRAFKDRELOVL6
SCHEMBL1339996 0.90 GRM4 (0.34) GRM4TP53MAPT
SCHEMBL1343370 0.90 GRM4 (0.35) GRM4MAPT
SCHEMBL1341783 0.90 GRM4 (0.36) GRM4MAPT
SCHEMBL1341534 0.89 TP53 (0.37) MGLLTP53MAPTCSNK1DCCR2
SCHEMBL1342358 0.89 NTRK1 (0.33) GRM4MGLLTP53MAPTCSNK1D
SCHEMBL1341198 0.88 KMT2A (0.37) GRM4TP53MAPT
SCHEMBL1343968 0.88 MAPT (0.34) GRM4TP53MAPT
SCHEMBL1342188 0.87 GRM4 (0.37) GRM4CSNK1DBRAFKDRELOVL6

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 GRM4 2551/4885MGLL 1985/4885TP53 2961/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885MGLL 1985/4885TP53 2961/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 GRM4 3123/4885MGLL 2329/4885TP53 3181/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885MGLL 1985/4885TP53 2961/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885MGLL 1985/4885TP53 2961/4885

“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.