SCHEMBL16296336

SCHEMBL16296336

CCOC(=O)[C@@](C)(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
HDAC1 Q13547 1/20 0.43
MMP8 P22894 1/20 0.43
PTPRB P23467 2/20 0.40
MKNK2 Q9HBH9 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP17A1 P05093 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
BCL2 P10415 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
SCN9A Q15858 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
WNT3A P56704 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
SCHEMBL6058817 1.00 NAMPT (0.43) NAMPTHDAC1MMP8PTPRBMKNK2
SCHEMBL16310724 0.87 NAMPT (0.45) NAMPTHDAC1GRIN2BALDH1A1CYP17A1
SCHEMBL6058644 0.87 NAMPT (0.45) NAMPTHDAC1GRIN2BALDH1A1CYP17A1
SCHEMBL6059160 0.84 PTPRB (0.44) NAMPTHDAC1MMP8PTPRBMKNK2
SCHEMBL6059137 0.84 NAMPT (0.41) NAMPTHDAC1PTPRBMKNK2GRIN2B
SCHEMBL16296368 0.83 NAMPT (0.47) NAMPTHDAC1GRIN2BALDH1A1CYP17A1
SCHEMBL5073948 0.83 NAMPT (0.41) NAMPTHDAC1PTPRBMKNK2GRIN2B
SCHEMBL10087556 0.81 NAMPT (0.49) NAMPTHDAC1GRIN2BALDH1A1MAPT
SCHEMBL19157033 0.81 NAMPT (0.44) NAMPTHDAC1GRIN2BALDH1A1CYP17A1
SCHEMBL6058751 0.81 NAMPT (0.44) NAMPTHDAC1MMP8MKNK2GRIN2B

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-9834527-B2 Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals SANOFI (FR) 2017-12-05 US disclosed
US-9834527-B2 Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals SANOFI (FR) 2017-12-05 US disclosed
US-9834527-B2 Macrocyclic urea derivatives as inhibitors of TAFIa, their preparation and their use as pharmaceuticals SANOFI (FR) 2017-12-05 US disclosed
EP-3027611-B1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-07-26 EP disclosed
EP-3027611-B1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-07-26 EP disclosed
EP-3027611-A1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFI A, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-08 EP disclosed
US-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals SANOFI (FR) 2016-05-19 US disclosed
US-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals SANOFI (FR) 2016-05-19 US disclosed
US-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals SANOFI (FR) 2016-05-19 US disclosed
WO-2014198620-A1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFIA, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-12-18 WO disclosed
WO-2014198620-A1 MACROCYCLIC UREA DERIVATIVES AS INHIBITORS OF TAFIA, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-12-18 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 (1 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-20160137618-A1 Macrocyclic Urea Derivatives as Inhibitors of TAFIa, Their Preparation and Their Use as Pharmaceuticals TFPI, TFPI2, F12 NAMPT 2411/4885HDAC1 852/4885MMP8 415/4885

“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.