SCHEMBL10185367

SCHEMBL10185367

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 7/20 0.41
UTS2R Q9UKP6 7/20 0.41
F10 P00742 1/20 0.39
CHRNA7 P36544 3/20 0.39
DHPS P49366 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL10184512 0.93 UTS2R (0.47) PRSS12UTS2RCHRNA7SLC6A2SLC6A4
SCHEMBL10186271 0.91 UTS2R (0.42) UTS2RCHRNA7SLC6A2SLC6A4
SCHEMBL10186255 0.89 PRSS12 (0.41) PRSS12UTS2RF10CHRNA7
SCHEMBL10185037 0.89 NAMPT (0.46) UTS2RSLC6A2SLC6A4
SCHEMBL10185104 0.87 PRSS12 (0.44) PRSS12UTS2RF10CHRNA7
SCHEMBL10186507 0.87 PRSS12 (0.46) PRSS12UTS2RF10CHRNA7
SCHEMBL10186508 0.86 UTS2R (0.48) UTS2RCHRNA7
SCHEMBL664007 0.84 MAPK1 (0.41) F10
SCHEMBL664008 0.84 MAPK1 (0.41) F10
SCHEMBL10186307 0.84 MAPK1 (0.41) F10

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 PRSS12 3098/4885UTS2R 2678/4885F10 3477/4885

“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.