SCHEMBL344679

SCHEMBL344679

CC(C)(C)OC(=O)N1C[C@@H]1CC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
PARP1 P09874 1/20 0.47
GLA P06280 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SRC P12931 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTR2C P28335 1/20 0.43
KLK7 P49862 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL344678 1.00 ABCB1 (0.48) ABCB1PARP1GLAMEN1KMT2A
SCHEMBL24109207 0.88 ABCB1 (0.44) ABCB1PARP1GLAMEN1KMT2A
SCHEMBL9037209 0.87 KLK7 (0.51) PARP1MEN1KMT2AHTTKLK7
SCHEMBL13323340 0.85 PARP1 (0.54) ABCB1PARP1HTTNR1H2NR1H3
SCHEMBL23426349 0.84 NAMPT (0.50) GLAMEN1KMT2AALDH1A1MAPK1
SCHEMBL25343946 0.82 PARP1 (0.59) ABCB1PARP1MEN1KMT2AHTT
SCHEMBL9102056 0.82 PARP1 (0.59) ABCB1PARP1MEN1KMT2AHTT
SCHEMBL28549464 0.82 PARP1 (0.46) ABCB1PARP1L3MBTL1NR1H2NR1H3
SCHEMBL9037131 0.81 PREP (0.55) MEN1KMT2AKLK7
SCHEMBL9037136 0.81 PREP (0.55) MEN1KMT2AKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP disclosed
EP-2669266-A1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate Dong-A Pharmaceutical Co., Ltd. (KR) 2013-12-04 EP disclosed
US-8598347-B2 Method for manufacturing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL. CO., LTD (KR) 2013-12-03 US disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US 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 (1 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-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 ABCB1 1063/4885PARP1 1383/4885GLA 1131/4885

“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.