SCHEMBL5751613

SCHEMBL5751613

O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MAOB P27338 1/20 0.37
CCR3 P51677 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
MDM2 Q00987 2/20 0.34

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
SCHEMBL5752174 0.89 CES2 (0.37) PTGDR2SMN1; SMN2CES2TBXA2RPTGDR
SCHEMBL6579476 0.85 KCNN4 (0.40) KCNN4KDM4EALDH1A1
SCHEMBL5752580 0.83 FADS1 (0.44) CCR3MDM2
SCHEMBL7118804 0.83 CYP3A4 (0.39) LPLLIPGKDM4EALDH1A1SMN1; SMN2
SCHEMBL5752913 0.82 MDM2 (0.43) KCNN4CCR3MDM2
SCHEMBL5752015 0.80 KCNN4 (0.34) KCNN4MAOB
SCHEMBL7116914 0.78 CES2 (0.34) KDM4EALDH1A1SMN1; SMN2CES2
SCHEMBL5751187 0.78 EGLN2 (0.35) KCNN4MAOBALDH1A1
SCHEMBL5750810 0.77 KCNN4 (0.33) KCNN4MAOBPTGDR2ALDH1A1MDM2
SCHEMBL5752903 0.77 KCNN4 (0.35) KCNN4MAOBPTGDR2MDM2

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 4807/4885LPL 99/4885LIPG 80/4885

“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.