SCHEMBL344600

SCHEMBL344600

CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
CYP2D6 P10635 1/20 0.43
AAK1 Q2M2I8 3/20 0.42
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTPN1 P18031 1/20 0.37
TRPA1 O75762 1/20 0.36
ABCB1 P08183 1/20 0.35
ACE P12821 1/20 0.35
KLK5 Q9Y337 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
SCHEMBL344599 1.00 DPP4 (0.43) DPP4CYP2D6AAK1CTSSCTSK
SCHEMBL344125 0.94 DPP4 (0.42) DPP4CYP2D6AAK1CTSSCTSK
SCHEMBL344124 0.94 DPP4 (0.42) DPP4CYP2D6AAK1CTSSCTSK
SCHEMBL30136576 0.94 DPP4 (0.42) DPP4CYP2D6AAK1CTSSCTSK
SCHEMBL438365 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL409962 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL342707 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL342708 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL19500634 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM
SCHEMBL29364846 0.90 DPP4 (0.43) DPP4AAK1CTSSCTSKATM

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 DPP4 1/4885CYP2D6 732/4885AAK1 2836/4885

“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.