SCHEMBL5752929

SCHEMBL5752929

COC(=O)c1ccc(C2OC(=O)NC2Cc2cccc(OC(F)(F)C(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.36
CETP P11597 4/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAPK14 Q16539 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL5752451 0.86 CETP (0.37) HCRTR1HCRTR2CETPDAO
SCHEMBL5751660 0.86 CETP (0.44) HCRTR1HCRTR2CETPBRD4CREBBP
SCHEMBL5754136 0.85 MDM2 (0.39) HCRTR1HCRTR2CETPDAO
SCHEMBL5751034 0.84 CETP (0.43) CETPMAPK14
SCHEMBL5751974 0.83 HCRTR1 (0.37) HCRTR1HCRTR2MMP13CETPDAO
SCHEMBL5751191 0.83 PIM1 (0.39) HCRTR1HCRTR2CETPDAO
SCHEMBL5751375 0.81 CETP (0.44) MEN1KMT2AMMP13CETPAR
SCHEMBL5752987 0.81 CETP (0.43) HCRTR1HCRTR2CETPDAO
SCHEMBL5749786 0.80 CETP (0.37) HCRTR1HCRTR2CETPDAO
SCHEMBL5749800 0.80 HCRTR1 (0.40) HCRTR1HCRTR2MRGPRX4MEN1KMT2A

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 HCRTR1 1956/4885HCRTR2 1789/4885MRGPRX4 1259/4885

“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.