SCHEMBL1342830

SCHEMBL1342830

CC(C)COc1ccccc1NC(=O)CC(=O)Nc1ncc(Sc2ncc[nH]2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
MPO P05164 1/20 0.35
HTT P42858 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 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
SCHEMBL2649174 0.94 ALDH1A1 (0.39) TSHRCASP1HSD17B10CCNE1CDK2
SCHEMBL1341480 0.92 TSHR (0.38) TSHRCASP1HSD17B10CCNE1CDK2
SCHEMBL1342373 0.90 MKNK2 (0.34) TSHRCASP1HSD17B10CCNE1CDK2
SCHEMBL1341323 0.89 KMT2A (0.37) HSD17B10CCNE1CDK2CDK5TP53
SCHEMBL2650296 0.86 ALDH1A1 (0.38) HSD17B10CCNE1CDK2CDK5ALDH1A1
SCHEMBL1343257 0.86 TSHR (0.45) TSHRCASP1HSD17B10CCNE1CDK2
SCHEMBL1342904 0.84 SMN1; SMN2 (0.42) TSHRCCNE1CDK2CDK5ALDH1A1
SCHEMBL1342598 0.84 CCNE1 (0.56) TSHRCCNE1CDK2CDK5ALDH1A1
SCHEMBL4466128 0.82 MYC (0.35) CCNE1CDK2TP53CDK1CDK4
SCHEMBL1342834 0.81 TSHR (0.38) TSHRCASP1HSD17B10ALDH1A1TP53

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 TSHR 2745/4885CASP1 1541/4885HSD17B10 611/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TSHR 2745/4885CASP1 1541/4885HSD17B10 611/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 TSHR 3799/4885CASP1 1464/4885HSD17B10 390/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TSHR 2745/4885CASP1 1541/4885HSD17B10 611/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TSHR 2745/4885CASP1 1541/4885HSD17B10 611/4885

“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.