SCHEMBL1429937

SCHEMBL1429937

CC(C)(C)OC(=O)Nc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
NAMPT P43490 2/20 0.45
GRIN2B Q13224 1/20 0.41
LTA4H P09960 1/20 0.40
CYP17A1 P05093 1/20 0.39
MAPKAPK2 P49137 4/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SCN9A Q15858 1/20 0.37
SLC7A5 Q01650 1/20 0.37
BCL2 P10415 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
NPR3 P17342 1/20 0.36
XBP1 P17861 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL3211479 1.00 HDAC1 (0.47) HDAC1NAMPTGRIN2BLTA4HCYP17A1
SCHEMBL2217184 0.90 SLC7A5 (0.47) HDAC1NAMPTGRIN2BCYP17A1SLC7A5
SCHEMBL2217180 0.90 SLC7A5 (0.47) HDAC1NAMPTGRIN2BCYP17A1SLC7A5
SCHEMBL12513331 0.90 HDAC1 (0.44) HDAC1NAMPTGRIN2BLTA4HCYP17A1
SCHEMBL13577799 0.87 HDAC1 (0.45) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL7257280 0.84 NAMPT (0.46) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL5076532 0.84 NAMPT (0.47) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL6058751 0.82 NAMPT (0.44) HDAC1NAMPTGRIN2BCYP17A1GSK3B
SCHEMBL7260124 0.82 NAMPT (0.44) HDAC1NAMPTGRIN2BCYP17A1GSK3B
SCHEMBL29523504 0.82 HDAC1 (0.52) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
CN-102056922-A Macrocyclic urea and sulfonamide derivatives as TAFIA inhibitors SANOFI AVENTIS 2011-05-11 CN disclosed
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-2300462-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA Sanofi-aventis (FR) 2011-03-30 EP disclosed
WO-2009146802-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2009-12-10 WO 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 HDAC1 208/4885NAMPT 1007/4885GRIN2B 4680/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 HDAC1 208/4885NAMPT 1007/4885GRIN2B 4680/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 HDAC1 208/4885NAMPT 1007/4885GRIN2B 4680/4885
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR EDNRA, EDNRB, GLP1R HDAC1 4443/4885NAMPT 3885/4885GRIN2B 1597/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 HDAC1 208/4885NAMPT 1007/4885GRIN2B 4680/4885

“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.