SCHEMBL2708189

SCHEMBL2708189

COc1cccc2c(N3CCN([C@H]4C[C@@H](C(=O)N5CCSC5)N(C(=O)OC(C)(C)C)C4)CC3)cc(C(F)(F)F)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
TNF P01375 3/20 0.35
LITAF Q99732 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TGM2 P21980 1/20 0.34

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
SCHEMBL2856739 0.94 DPP4 (0.50) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2860543 0.93 DPP4 (0.49) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2849736 0.93 DPP4 (0.49) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2856911 0.93 DPP4 (0.49) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2709330 0.92 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2709329 0.92 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2707892 0.92 DPP4 (0.52) DPP4DPP8DPP9TGM2
SCHEMBL2855142 0.92 DPP4 (0.52) DPP4DPP8DPP9HTR1ATGM2
SCHEMBL2710990 0.91 DPP4 (0.51) DPP4DPP8DPP9TGM2
SCHEMBL2862062 0.90 DPP4 (0.47) DPP4DPP8DPP9HTR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 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
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (5 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 5/4885
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
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 5/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 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.