SCHEMBL16296368

SCHEMBL16296368

CC(C)(C)OC(=O)Nc1ccc(CC(C)(C(=O)O)C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
HDAC1 Q13547 1/20 0.47
GRIN2B Q13224 1/20 0.45
CYP17A1 P05093 1/20 0.41
SCN9A Q15858 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
BCL2 P10415 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATR Q13535 1/20 0.36
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL16310724 0.94 NAMPT (0.45) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL6058644 0.94 NAMPT (0.45) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL10087556 0.88 NAMPT (0.49) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL5076532 0.84 NAMPT (0.47) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL28031221 0.84 NAMPT (0.43) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL949620 0.84 NAMPT (0.48) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL15354526 0.83 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL540536 0.83 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL6058817 0.83 NAMPT (0.43) NAMPTHDAC1GRIN2BCYP17A1SCN9A
SCHEMBL16296336 0.83 NAMPT (0.43) NAMPTHDAC1GRIN2BCYP17A1SCN9A

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 5 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
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
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 852/4885GRIN2B 4738/4885

“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.