SCHEMBL2862062

SCHEMBL2862062

COc1cc(OC)c2nc(C(F)(F)F)cc(N3CCN([C@H]4C[C@@H](C(=O)N5CCSC5)N(C(=O)OC(C)(C)C)C4)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
HTR1A P08908 4/20 0.37
PREP P48147 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL2708189 0.90 DPP4 (0.51) DPP4DPP8DPP9HTR1ACCNT1
SCHEMBL2712185 0.88 DPP4 (0.53) DPP4DPP8DPP9PREPALDH1A1
SCHEMBL2710367 0.87 DPP4 (0.53) DPP4DPP8DPP9HTR1APREP
SCHEMBL2856739 0.86 DPP4 (0.50) DPP4DPP8DPP9HTR1A
SCHEMBL2709330 0.85 DPP4 (0.52) DPP4DPP8DPP9PREP
SCHEMBL2709329 0.85 DPP4 (0.52) DPP4DPP8DPP9PREP
SCHEMBL2707892 0.85 DPP4 (0.52) DPP4DPP8DPP9PREP
SCHEMBL2855142 0.85 DPP4 (0.52) DPP4DPP8DPP9HTR1APREP
SCHEMBL2860543 0.85 DPP4 (0.49) DPP4DPP8DPP9HTR1A
SCHEMBL2849736 0.85 DPP4 (0.49) DPP4DPP8DPP9HTR1A

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 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.