SCHEMBL5230355

SCHEMBL5230355

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CTSS P25774 6/20 0.40
CTSK P43235 4/20 0.40
AAK1 Q2M2I8 2/20 0.40
RIPK1 Q13546 3/20 0.40
PTPN1 P18031 1/20 0.38
MMEL1 Q495T6 1/20 0.36
ACE P12821 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
TRPA1 O75762 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL10054447 0.86 CTSS (0.45) ATMCTSSCTSKAAK1RIPK1
SCHEMBL2364410 0.86 CTSS (0.45) ATMCTSSCTSKAAK1RIPK1
SCHEMBL6248245 0.86 CTSS (0.45) ATMCTSSCTSKAAK1RIPK1
SCHEMBL1509219 0.86 CTSS (0.45) ATMCTSSCTSKAAK1RIPK1
SCHEMBL342707 0.84 DPP4 (0.43) ATMCTSSCTSKAAK1PTPN1
SCHEMBL29364846 0.84 DPP4 (0.43) ATMCTSSCTSKAAK1PTPN1
SCHEMBL342708 0.84 DPP4 (0.43) ATMCTSSCTSKAAK1PTPN1
SCHEMBL28759095 0.84 DPP4 (0.43) ATMCTSSCTSKAAK1PTPN1
SCHEMBL4893696 0.83 CTSS (0.50) ATMCTSSCTSKAAK1PTPN1
SCHEMBL1509212 0.82 AAK1 (0.45) ATMCTSSCTSKAAK1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US disclosed
EP-1490335-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1490335-A4 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-02-08 EP disclosed
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 US disclosed
EP-1490335-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082817-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2003-10-09 WO 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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ATM 4777/4885CTSS 702/4885CTSK 820/4885

“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.