SCHEMBL2859533

SCHEMBL2859533

N#Cc1ccc2nc(C3CCN(CCCC[C@H](N)C(=O)N4CCSC4)CC3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
DPP4 P27487 6/20 0.44
ALDH1A1 P00352 1/20 0.41
DPP7 Q9UHL4 4/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
USP30 Q70CQ3 2/20 0.40
AKT1 P31749 4/20 0.39
AKT2 P31751 3/20 0.39
NPY5R Q15761 3/20 0.38

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
SCHEMBL28751750 1.00 KCNH2 (0.46) KCNH2DPP4ALDH1A1DPP7DPP8
SCHEMBL2859524 0.94 DPP4 (0.44) KCNH2DPP4DPP7DPP8DPP9
SCHEMBL2852143 0.86 DPP7 (0.45) DPP4DPP7DPP8DPP9
SCHEMBL27599021 0.86 DPP7 (0.45) DPP4DPP7DPP8DPP9
SCHEMBL27617601 0.86 DPP4 (0.55) DPP4DPP7DPP8DPP9NPY5R
SCHEMBL2851939 0.86 DPP4 (0.55) DPP4DPP7DPP8DPP9NPY5R
SCHEMBL2857698 0.84 DPP4 (0.45) DPP4ALDH1A1DPP7DPP8DPP9
SCHEMBL2857690 0.84 DPP4 (0.45) DPP4ALDH1A1DPP7DPP8DPP9
SCHEMBL2862012 0.82 DPP4 (0.45) DPP4ALDH1A1DPP7DPP8DPP9
SCHEMBL2862006 0.82 DPP4 (0.45) DPP4ALDH1A1DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 KCNH2 3108/4885DPP4 1/4885ALDH1A1 148/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 KCNH2 3103/4885DPP4 1/4885ALDH1A1 31/4885

“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.