SCHEMBL5752476

SCHEMBL5752476

CCOc1ccc2ccccc2c1C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR2 P25025 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL5786685 0.87 PDE2A (0.40) GAACXCR2MAPTMAPK1HTT
SCHEMBL5753953 0.85 PDE2A (0.40) ALDH1A1NOS3NOS1NOS2PDE2A
SCHEMBL5749952 0.84 PPARG (0.42) CXCR5ALDH1A1TP53L3MBTL1GAA
SCHEMBL5752263 0.81 DRD4 (0.48) ALDH1A1GAAMAPTMAPK1HTT
SCHEMBL5751220 0.81 DRD4 (0.48) ALDH1A1GAAMAPTMAPK1HTT
SCHEMBL5753355 0.80 PPARG (0.35) ALDH1A1CXCR2MAPTSMN1; SMN2PPARG
SCHEMBL5749739 0.79 PLK1 (0.42) PPARGPPARDPPARANOS3NOS1
SCHEMBL5753159 0.78 DRD4 (0.39) NOS3NOS1NOS2PDE2AUTS2R
SCHEMBL5750122 0.78 TRPV1 (0.49) MEN1KMT2A
SCHEMBL5752315 0.77 CNR2 (0.45) ALDH1A1HTTNOS3NOS1NOS2

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 CXCR5 4765/4885ALDH1A1 783/4885TP53 4608/4885

“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.