SCHEMBL572693

SCHEMBL572693

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
CTSS P25774 7/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
KLK5 Q9Y337 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 4/20 0.45
PREP P48147 4/20 0.44
DPP8 Q6V1X1 3/20 0.44

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
SCHEMBL14982904 1.00 ACE (0.49) ACECTSSCTSKCTSBCTSL
SCHEMBL10057504 0.91 ACE (0.51) ACECTSSCTSKCTSBCTSL
SCHEMBL10057885 0.88 ACE (0.55) ACEKLK5L3MBTL1
SCHEMBL572136 0.88 ACE (0.55) ACEKLK5L3MBTL1
Trifluoroacetic Acid SCHEMBL572193 0.84 DPP4 (0.53) DPP4DPP8
SCHEMBL10057505 0.84 DPP4 (0.56) DPP4DPP8
SCHEMBL10057507 0.81 DPP4 (0.51) DPP4PREPDPP8
SCHEMBL10057468 0.81 CTSS (0.54) ACECTSSCTSKCTSBCTSL
SCHEMBL571640 0.81 CTSS (0.54) ACECTSSCTSKCTSBCTSL
Hydrochloric Acid SCHEMBL14973572 0.81 DPP4 (0.51) DPP4PREPDPP8

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 17/4885CTSS 443/4885CTSK 379/4885

“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.