SCHEMBL5749024

SCHEMBL5749024

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
SLC1A1 P43005 2/20 0.47
PPARA Q07869 5/20 0.42
PPARG P37231 5/20 0.42
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
FFAR2 O15552 1/20 0.41
ACP3 P15309 2/20 0.41
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 1/20 0.40
CNR2 P34972 1/20 0.40
SLC6A9 P48067 1/20 0.39
FPR2 P25090 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
SCHEMBL5750437 0.87 PPARG (0.51) SLC1A1PPARAPPARGMDM2ACP3
SCHEMBL5751624 0.84 PPARG (0.44) PPARAPPARGL3MBTL1CNR2
SCHEMBL5749682 0.84 PPARG (0.44) PPARAPPARGL3MBTL1CNR2
SCHEMBL5751870 0.84 AKR1C3 (0.47) PPARAPPARGL3MBTL1CNR2
SCHEMBL5753401 0.81 SLC7A5 (0.45) OPRM1OPRL1MTORFFAR2ACP3
SCHEMBL5752665 0.80 PDE2A (0.46) SLC1A1PPARAPPARGL3MBTL1
SCHEMBL5750572 0.79 PPARA (0.43) PPARAPPARGFFAR2L3MBTL1FPR2
SCHEMBL5753842 0.78 PPARG (0.57) PPARAPPARGFFAR2L3MBTL1CNR2
SCHEMBL5751805 0.78 SLC1A1 (0.47) OPRM1SLC1A1PPARAPPARGMDM2
SCHEMBL5752822 0.77 PPARG (0.47) SLC1A1PPARAPPARGL3MBTL1PDPK1

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 OPRM1 2976/4885OPRL1 1125/4885SLC1A1 343/4885

“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.