SCHEMBL572136

SCHEMBL572136

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)N1CCCC1C(N)=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
KLK5 Q9Y337 1/20 0.52
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CMA1 P23946 10/20 0.46
CTRC Q99895 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
XIAP P98170 1/20 0.43
REN P00797 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
SCHEMBL10057885 1.00 ACE (0.55) ACEKLK5F2PRSS1L3MBTL1
SCHEMBL10057504 0.92 ACE (0.51) ACEKLK5F2PRSS1L3MBTL1
SCHEMBL572693 0.88 ACE (0.49) ACEKLK5L3MBTL1
SCHEMBL14982904 0.88 ACE (0.49) ACEKLK5L3MBTL1
SCHEMBL572754 0.85 KLK5 (0.44) ACEKLK5
Trifluoroacetic Acid SCHEMBL572058 0.85 DPP4 (0.47) ACEXIAP
SCHEMBL10056843 0.84 ACE (0.48) ACE
SCHEMBL10057468 0.81 CTSS (0.54) ACEKLK5L3MBTL1REN
SCHEMBL571640 0.81 CTSS (0.54) ACEKLK5L3MBTL1REN
SCHEMBL10057884 0.81 CMA1 (0.57) ACEF2PRSS1CMA1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600888-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Pharmaceuticals Ltd. (IN) 2013-06-12 EP disclosed
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 ACE 17/4885KLK5 303/4885F2 2012/4885

“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.