SCHEMBL10078068

SCHEMBL10078068

CC(C)(CNC(=O)CC(N)Cc1cc(F)ccc1F)CNC(=O)C(O)C(N)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.45
METAP1 P53582 4/20 0.44
DPP4 P27487 10/20 0.42
DPP7 Q9UHL4 3/20 0.42
DPP8 Q6V1X1 5/20 0.38
LAP3 P28838 2/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
DPP9 Q86TI2 2/20 0.38
REN P00797 1/20 0.38
ACE P12821 2/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL10075288 0.94 DPP4 (0.40) METAP2METAP1DPP4DPP7DPP8
SCHEMBL6873681 0.92 LAP3 (0.44) DPP4DPP7DPP8LAP3ANPEP
SCHEMBL10074457 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9REN
SCHEMBL10074326 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9REN
SCHEMBL6872762 0.87 LAP3 (0.40) DPP4DPP7DPP8LAP3ANPEP
SCHEMBL6874066 0.87 LAP3 (0.44) METAP2DPP4DPP7DPP8LAP3
SCHEMBL10074292 0.86 DPP4 (0.43) DPP4DPP7DPP8DPP9REN
SCHEMBL10074134 0.86 DPP4 (0.43) DPP4DPP7DPP8DPP9REN
SCHEMBL10074293 0.86 DPP4 (0.43) DPP4DPP7DPP8DPP9REN
SCHEMBL10077381 0.86 DPP4 (0.43) DPP4DPP7DPP8DPP9REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 METAP2 44/4885METAP1 24/4885DPP4 121/4885

“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.