SCHEMBL2708987

SCHEMBL2708987

CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C(F)(F)F)cn2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD11B1 P28845 2/20 0.41
SYK P43405 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CCR6 P51684 2/20 0.39
PREP P48147 1/20 0.38
MAPT P10636 1/20 0.38
NPY5R Q15761 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MCL1 Q07820 1/20 0.35
CCNK O75909 1/20 0.35
CCNA2 P20248 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
SCHEMBL2709196 0.85 DPP4 (0.58) DPP4CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL2708647 0.83 DPP4 (0.40) DPP4SYKDPP8DPP9PREP
SCHEMBL2710355 0.83 DPP4 (0.43) DPP4CYP3A4DPP8DPP9PREP
SCHEMBL4392886 0.82 CYP3A4 (0.41) DPP4CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL2709313 0.82 DPP4 (0.53) DPP4PREPMAPT
SCHEMBL2709311 0.82 DPP4 (0.53) DPP4PREPMAPT
SCHEMBL2710558 0.81 DPP4 (0.61) DPP4CYP2C9HSD11B1DPP8DPP9
SCHEMBL2709456 0.80 DPP4 (0.55) DPP4PREPMAPT
SCHEMBL2709282 0.80 DPP4 (0.42) DPP4DPP8DPP9PREP
SCHEMBL2709078 0.79 DPP4 (0.59) DPP4PREPMAPT

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 9 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-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 (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-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 173/4885CYP2D6 325/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 189/4885CYP2D6 243/4885

“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.