SCHEMBL5752439

SCHEMBL5752439

O=C(O)C(Cc1cc(OC(F)(F)C(F)F)no1)C(O)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 2/20 0.31
TPH1 P17752 2/20 0.31
THRB P10828 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGB6 P18564 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP2J2 P51589 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
SCHEMBL5753923 0.83 DPP4 (0.31) SMN1; SMN2LMNATSHR
SCHEMBL5753376 0.79 PTGDR2 (0.31) EPHX2
SCHEMBL5750694 0.78 CTSS (0.37) SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL5752628 0.77 PTPN1 (0.42) LMNATSHRPTPN1ALDH1A1
SCHEMBL5748762 0.76 CETP (0.46) EPHX2
SCHEMBL5755188 0.74 KMT2A (0.39) LMNAALDH1A1
SCHEMBL5749815 0.74 RORC (0.36)
SCHEMBL5749734 0.74 KMT2A (0.36) ALDH1A1
SCHEMBL5751323 0.72 GRM8 (0.36)
SCHEMBL5749775 0.71 EPHX2 (0.35) SMN1; SMN2LMNATSHRPTPN1ALDH1A1

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 SMN1; SMN2 4771/4885LMNA 2989/4885TSHR 3729/4885

“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.