SCHEMBL2710002

SCHEMBL2710002

CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.45
NR1H2 P55055 2/20 0.42
DPP7 Q9UHL4 3/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
KCNH2 Q12809 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
AR P10275 1/20 0.39
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 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
SCHEMBL2711085 0.89 SFRP1 (0.46) DPP4NR1H2WNT3SFRP1
SCHEMBL2711088 0.89 SFRP1 (0.46) DPP4NR1H2WNT3SFRP1
SCHEMBL2711952 0.87 DPP4 (0.57) DPP4DPP8DPP9AR
SCHEMBL2710308 0.85 DPP4 (0.57) DPP4DPP8DPP9HRH2HRH1
SCHEMBL2708678 0.84 DPP4 (0.58) DPP4DPP8DPP9AR
SCHEMBL2709196 0.84 DPP4 (0.58) DPP4DPP8DPP9
SCHEMBL2710590 0.83 DPP4 (0.59) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2709000 0.82 DPP4 (0.44) DPP4DPP8DPP9AR
SCHEMBL2708162 0.80 DPP4 (0.43) DPP4DPP8DPP9AR
SCHEMBL2710791 0.80 GPR119 (0.44) DPP4NR1H2

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 10 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
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-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-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 (3 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 1/4885NR1H2 3309/4885DPP7 3/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885NR1H2 3309/4885DPP7 3/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885NR1H2 3684/4885DPP7 3/4885

“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.