SCHEMBL5750001

SCHEMBL5750001

O=C(CCc1ccccc1)NC(Cc1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR2 O15552 1/20 0.38
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL5753673 0.86 FFAR2 (0.52) GAALMNAKDM4EALDH1A1SLC6A2
SCHEMBL5752002 0.80 BACE1 (0.48) RAB9ALMNACYP1A2CYP3A4TSHR
SCHEMBL5753525 0.80 FFAR1 (0.51) GAARAB9ALMNAKDM4EALDH1A1
SCHEMBL5751792 0.80 LMNA (0.49) LMNACNR2CYP1A2CYP3A4CYP2C9
SCHEMBL5755551 0.80 LMNA (0.49) LMNACNR2CYP1A2CYP3A4CYP2C9
SCHEMBL5752879 0.80 LMNA (0.56) RAB9ALMNAKDM4EALDH1A1SLC6A3
SCHEMBL5750097 0.80 LTA4H (0.50) GAALMNAKDM4EALDH1A1PTPN2
SCHEMBL5752290 0.79 LMNA (0.46) GAAPOLBLMNAKDM4EALDH1A1
SCHEMBL5749304 0.79 FFAR2 (0.49) CNR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5751263 0.79 LMNA (0.46) LMNACNR2CYP1A2CYP3A4CYP2C9

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 GAA 3065/4885POLB 4680/4885RAB9A 2516/4885

“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.