SCHEMBL5752903

SCHEMBL5752903

CC(C)(F)C(F)c1cccc(CC2C(c3ccc(F)cc3)OC(=O)N2C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
MDM2 Q00987 2/20 0.33
EPHX1 P07099 1/20 0.32
NR3C2 P08235 3/20 0.32
FADS1 O60427 4/20 0.32
MAOB P27338 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5755612 0.83 KCNN4 (0.35) KCNN4MDM2FADS1MAOBPTGDR2
SCHEMBL5750810 0.81 KCNN4 (0.33) KCNN4MDM2EPHX1FADS1MAOB
SCHEMBL5754320 0.80 UBE2M (0.35) KCNN4MDM2FADS1MAOBPTGDR2
SCHEMBL5751613 0.77 KCNN4 (0.39) KCNN4MDM2MAOBPTGDR2
SCHEMBL5751222 0.75 GRM5 (0.34) MDM2EPHX1
SCHEMBL5752464 0.72 KCNN4 (0.33) KCNN4MAOB
SCHEMBL5752580 0.72 FADS1 (0.44) MDM2NR3C2FADS1
SCHEMBL5753523 0.72 HCRTR1 (0.37)
SCHEMBL5752417 0.71 KCNN4 (0.33) KCNN4MAOB
SCHEMBL5752015 0.71 KCNN4 (0.34) KCNN4EPHX1FADS1MAOB

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 KCNN4 4807/4885MDM2 3868/4885EPHX1 1112/4885

“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.