SCHEMBL10185227

SCHEMBL10185227

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.42
RAF1 P04049 3/20 0.41
CCR3 P51677 3/20 0.40
HRH1 P35367 2/20 0.40
KCNH2 Q12809 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.37
NOTUM Q6P988 1/20 0.37
DGAT1 O75907 1/20 0.37
ACSL1 P33121 1/20 0.37

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
SCHEMBL10186456 0.93 EPHX2 (0.46) EPHX2RAF1CCR3HRH1KCNH2
SCHEMBL10184352 0.91 EPHX2 (0.41) EPHX2RAF1CCR3HRH1KCNH2
SCHEMBL10185322 0.90 EPHX2 (0.43) EPHX2DGAT1ACSL1
SCHEMBL10186415 0.90 EPHX2 (0.47) EPHX2RAF1PTGDR2NOTUMDGAT1
SCHEMBL10185364 0.89 CCR3 (0.44) CCR3HRH1KCNH2PTGDR2ACSL1
SCHEMBL10185105 0.89 CCR3 (0.49) CCR3HRH1KCNH2PTGDR2ACSL1
SCHEMBL10184358 0.88 DRD4 (0.41) EPHX2CCR3PTGDR2
SCHEMBL10185096 0.87 ACSL1 (0.43) EPHX2PTGDR2DGAT1ACSL1
SCHEMBL10186162 0.87 CCR3 (0.44) CCR3HRH1KCNH2PTGDR2DGAT1
SCHEMBL10186165 0.86 CCR3 (0.43) CCR3HRH1PTGDR2DGAT1ACSL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 EPHX2 1718/4885RAF1 4751/4885CCR3 4296/4885

“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.