SCHEMBL5752174

SCHEMBL5752174

O=C(O)N1C(=O)OC(c2ccncc2)C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
ELANE P08246 5/20 0.37
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
RORC P51449 1/20 0.35
NAMPT P43490 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SORT1 Q99523 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5751613 0.89 KCNN4 (0.39) CES2PTGDR2TBXA2RPTGDRSMN1; SMN2
SCHEMBL7118804 0.83 CYP3A4 (0.39) CES2SIRT2SIRT1SMN1; SMN2
SCHEMBL7116914 0.80 CES2 (0.34) CES2SIRT2SIRT1SMN1; SMN2
SCHEMBL6579476 0.75 KCNN4 (0.40) RORC
SCHEMBL5752580 0.72 FADS1 (0.44) RORC
SCHEMBL5752913 0.71 MDM2 (0.43)
SCHEMBL5749376 0.70 KDM4E (0.37) RORCSMN1; SMN2
SCHEMBL5750557 0.70 MAOB (0.39) CES2HIF1AEPAS1
SCHEMBL7123401 0.69 HCRTR1 (0.38)
SCHEMBL5753117 0.69 CETP (0.46)

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 CES2 314/4885ELANE 455/4885HIF1A 2349/4885

“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.