SCHEMBL5750437

SCHEMBL5750437

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
PDPK1 O15530 1/20 0.48
FPR2 P25090 1/20 0.47
SLC6A9 P48067 1/20 0.46
CNR2 P34972 1/20 0.45
ACP3 P15309 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
SRD5A2 P31213 1/20 0.43
CPA1 P15085 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MDM2 Q00987 1/20 0.43
HSD11B1 P28845 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL5751624 0.89 PPARG (0.44) PPARGPPARACNR2L3MBTL1SRD5A2
SCHEMBL5749682 0.89 PPARG (0.44) PPARGPPARACNR2L3MBTL1SRD5A2
SCHEMBL5750572 0.89 PPARA (0.43) PPARGPPARAFPR2L3MBTL1PTPN1
SCHEMBL5754309 0.88 PPARG (0.53) PPARGPPARACNR2SRD5A2MEN1
SCHEMBL5753842 0.87 PPARG (0.57) PPARGPPARACNR2L3MBTL1SRD5A2
SCHEMBL5749024 0.87 OPRM1 (0.47) PPARGPPARAPDPK1FPR2SLC6A9
SCHEMBL5750403 0.84 LDHA (0.51) PPARGPPARA
SCHEMBL5752822 0.83 PPARG (0.47) PPARGPPARAPDPK1FPR2SLC6A9
SCHEMBL5752718 0.82 PPARA (0.41) PPARGPPARAPDPK1FPR2SLC6A9
SCHEMBL5751870 0.82 AKR1C3 (0.47) PPARGPPARACNR2L3MBTL1SRD5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PPARG 905/4885PPARA 708/4885PDPK1 3146/4885

“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.