SCHEMBL5750810

SCHEMBL5750810

O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cccc(C(=O)C(F)(F)C(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.32
MDM2 Q00987 2/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
FADS1 O60427 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
MAOB P27338 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 0.85 KCNN4 (0.35) KCNN4ALDH1A1NPSR1MDM2FADS1
SCHEMBL5752903 0.81 KCNN4 (0.35) KCNN4EPHX1MDM2KMT2AFADS1
SCHEMBL5754320 0.80 UBE2M (0.35) KCNN4MDM2FADS1PTGDR2MAOB
SCHEMBL5751832 0.79 MDM2 (0.35) KCNN4MDM2KMT2AFADS1PTGDR2
SCHEMBL5749743 0.78 GRM5 (0.35) ALDH1A1NPSR1EPHX1MDM2HPGD
SCHEMBL5751613 0.77 KCNN4 (0.39) KCNN4ALDH1A1MDM2PTGDR2MAOB
SCHEMBL5749800 0.74 HCRTR1 (0.40) MRGPRX4KMT2A
SCHEMBL5752464 0.74 KCNN4 (0.33) KCNN4MAOB
SCHEMBL5753523 0.73 HCRTR1 (0.37) ALDH1A1
SCHEMBL5752417 0.73 KCNN4 (0.33) KCNN4MAOB

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 4807/4885ALDH1A1 783/4885NPSR1 2262/4885

“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.