SCHEMBL10077058

SCHEMBL10077058

NC(CC(=O)NCCCCNC(=O)C(O)C(N)COCc1ccccc1)Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.40
DPP7 Q9UHL4 2/20 0.40
LAP3 P28838 2/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
METAP2 P50579 1/20 0.37
RAB9A P51151 1/20 0.37
DPP8 Q6V1X1 2/20 0.36
CHRNA1 P02708 3/20 0.35
CHRNG P07510 3/20 0.35
CHRNB1 P11230 3/20 0.35
CHRND Q07001 3/20 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
SCHEMBL6873752 0.89 LAP3 (0.49) DPP4DPP7LAP3ANPEPRNPEP
SCHEMBL10074326 0.88 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL10074457 0.88 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL6873314 0.87 LAP3 (0.49) DPP4DPP7LAP3ANPEPRNPEP
SCHEMBL10074453 0.86 LAP3 (0.37) DPP4DPP7LAP3ANPEPRNPEP
SCHEMBL6873883 0.85 LAP3 (0.51) DPP4DPP7LAP3ANPEPRNPEP
SCHEMBL10077376 0.85 DPP4 (0.39) DPP4DPP7DPP8
SCHEMBL10077071 0.85 DPP4 (0.39) DPP4DPP7DPP8
SCHEMBL10077373 0.85 LAP3 (0.36) DPP4DPP7LAP3ANPEPRNPEP
SCHEMBL6874634 0.81 LAP3 (0.40) DPP4DPP7LAP3ANPEPRNPEP

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 DPP4 121/4885DPP7 86/4885LAP3 186/4885

“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.