SCHEMBL5753449

SCHEMBL5753449

CCC(Cc1cccc(SC(F)(F)F)c1)(C(=O)O)C(O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CNR2 P34972 1/20 0.32
ALOX5AP P20292 1/20 0.32
PDE2A O00408 1/20 0.31
PPARD Q03181 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL5752381 0.76 CES2 (0.40) PPARGKDM4EALDH1A1CNR2PDE2A
SCHEMBL7125124 0.74 SMN1; SMN2 (0.41) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL5751725 0.73 SLC1A1 (0.44) CETPFFAR4PPARGPPARAKDM4E
SCHEMBL5750537 0.73 FFAR1 (0.34) FFAR4PPARGPPARAKDM4EALDH1A1
SCHEMBL5754283 0.72 PPARA (0.37) CETPPPARGPPARAKDM4EALOX5AP
SCHEMBL5753448 0.72 CETP (0.37) CETPRXFP1FFAR4PPARGPPARA
SCHEMBL5752279 0.70 CETP (0.46) CETP
SCHEMBL5750935 0.69 CETP (0.38) CETPFFAR4PPARGKDM4EUBE2M
SCHEMBL5751324 0.68 MDM2 (0.44) RXFP1PPARGPPARAALDH1A1MAPT
SCHEMBL2646892 0.67 NR1H4 (0.51) CETPFFAR4PPARGPPARAKDM4E

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 2 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

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 CETP 1/4885RXFP1 1700/4885FFAR4 330/4885

“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.