SCHEMBL5752274

SCHEMBL5752274

O=C(O)C(Cc1cnc(C(F)(F)F)s1)C(O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 1/20 0.35
P2RX7 Q99572 8/20 0.35
HDAC6 Q9UBN7 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL5751647 0.81 HDAC6 (0.31) EPHX2CYP2C9CYP2C19CYP2J2P2RX7
SCHEMBL5751657 0.76 CTSS (0.38) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5755139 0.72 P2RX7 (0.35) EPHX2CYP2C9CYP2C19CYP2J2P2RX7
SCHEMBL5749682 0.72 PPARG (0.44) EPHX2L3MBTL1
SCHEMBL5751624 0.72 PPARG (0.44) EPHX2L3MBTL1
SCHEMBL5751323 0.72 GRM8 (0.36) P2RX7
SCHEMBL5752733 0.72 KMT2A (0.48) CYP2C9
SCHEMBL9135960 0.70 RAB9A (0.44) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL5753316 0.70 PPARG (0.45) EPHX2
SCHEMBL5752432 0.69 MEN1 (0.44) CYP2C9CYP2C19PTGDR2

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 EPHX2 1434/4885CYP2C9 1548/4885CYP2C19 1759/4885

“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.