SCHEMBL10185144

SCHEMBL10185144

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@H](C(=O)O)CC2)cc1F)c1cc2cc(F)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.42
UTS2R Q9UKP6 1/20 0.42
DGAT1 O75907 4/20 0.42
CLK2 P49760 2/20 0.42
CHRNA7 P36544 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HTR3A P46098 2/20 0.39
SOAT1 P35610 2/20 0.38
MMP12 P39900 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL662828 1.00 CLK1 (0.42) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL662829 1.00 CLK1 (0.42) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10184525 0.93 DGAT1 (0.40) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10186265 0.91 UTS2R (0.41) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10185434 0.90 RAB9A (0.44) CLK1DGAT1HRH3
SCHEMBL10186287 0.89 UTS2R (0.43) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10185623 0.88 DGAT1 (0.51) CLK1UTS2RDGAT1CHRNA7HTR3A
SCHEMBL10185723 0.88 UTS2R (0.45) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10186508 0.87 UTS2R (0.48) CLK1UTS2RDGAT1CLK2CHRNA7
SCHEMBL10185104 0.86 PRSS12 (0.44) UTS2RDGAT1CHRNA7HRH3SOAT1

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 CLK1 2402/4885UTS2R 2678/4885DGAT1 1/4885

“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.