SCHEMBL2725905

SCHEMBL2725905

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(C(=O)O)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
PREP P48147 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 8/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 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
SCHEMBL2707100 0.91 PREP (0.47) HSD17B10PREPSMN1; SMN2DPP4HPGD
SCHEMBL2710642 0.91 PREP (0.50) HSD17B10PREPDPP4HPGD
SCHEMBL2709609 0.89 PREP (0.50) HSD17B10PREPDPP4HPGD
SCHEMBL2711931 0.88 PREP (0.49) HSD17B10PREPDPP4HPGD
SCHEMBL2711933 0.88 PREP (0.49) HSD17B10PREPDPP4HPGD
SCHEMBL2711630 0.87 DPP4 (0.50) HSD17B10PREPDPP4
SCHEMBL2708560 0.86 DPP4 (0.49) HSD17B10PREPSMN1; SMN2DPP4RECQL
SCHEMBL2710551 0.86 PREP (0.47) HSD17B10PREPDPP4
SCHEMBL2708557 0.86 DPP4 (0.49) HSD17B10PREPSMN1; SMN2DPP4RECQL
SCHEMBL2712126 0.86 DPP4 (0.55) PREPDPP4

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 HSD17B10 1419/4885PREP 7/4885SMN1; SMN2 3114/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HSD17B10 1419/4885PREP 7/4885SMN1; SMN2 3114/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HSD17B10 1217/4885PREP 8/4885SMN1; SMN2 2487/4885

“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.