SCHEMBL15530463

SCHEMBL15530463

O=C(O)C(C(=O)O)C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
CNR2 P34972 1/20 0.49
MTOR P42345 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MDM2 Q00987 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FPR2 P25090 1/20 0.42
ACP3 P15309 1/20 0.42
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 2/20 0.40
PTGES O14684 1/20 0.40
KIF11 P52732 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39

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
SCHEMBL1594751 0.76 PPARG (0.53) CNR2MTORPPARGPPARAMDM2
SCHEMBL1594754 0.76 PPARG (0.53) CNR2MTORPPARGPPARAMDM2
SCHEMBL6880963 0.74 PDPK1 (0.60) PDPK1CNR2PPARGPPARAACP3
SCHEMBL28209100 0.72 PPARG (0.58) PDPK1CNR2PPARGPPARAFPR2
SCHEMBL4297567 0.71 MTOR (0.49) CNR2MTORPPARGPPARAMDM2
SCHEMBL4297563 0.71 MTOR (0.49) CNR2MTORPPARGPPARAMDM2
SCHEMBL8818382 0.71 LMNA (0.42) MEN1KMT2A
SCHEMBL20791192 0.69 PDE2A (0.45) MTORPPARGPPARAMDM2MEN1
SCHEMBL8067663 0.69 HSD11B1 (0.47) CNR2MTORTMEM97SIGMAR1HSD11B1
SCHEMBL27683652 0.69 ACP3 (0.59) PDPK1CNR2PPARGPPARAACP3

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
EP-2847177-B1 METHODS FOR MAKING OXETAN-3-YLMETHANAMINES BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9376409-B2 Methods for making oxetan-3-ylmethanamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-28 US disclosed
US-20150119589-A1 METHODS FOR MAKING OXETAN-3-YLMETHANAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
EP-2847177-A1 METHODS FOR MAKING OXETAN-3-YLMETHANAMINES Boehringer Ingelheim International GmbH (DE) 2015-03-18 EP disclosed
WO-2013169531-A1 METHODS FOR MAKING OXETAN-3-YLMETHANAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 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-20150119589-A1 METHODS FOR MAKING OXETAN-3-YLMETHANAMINES ODC1, PNMT, OXTR PDPK1 2715/4885CNR2 290/4885MTOR 1748/4885

“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.