SCHEMBL6873503

SCHEMBL6873503

NC(CC(=O)NC(CCCNC(=O)C(O)C(N)Cc1ccccc1)C(=O)O)Cc1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.47
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
PGGT1B P53609 4/20 0.40
SHMT1 P34896 1/20 0.39
METAP2 P50579 1/20 0.39
ACE P12821 1/20 0.38
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRND Q07001 1/20 0.37
C3AR1 Q16581 1/20 0.37
FOLH1 Q04609 1/20 0.37

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) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873314 0.89 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873883 0.87 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL10074349 0.82 MMP2 (0.50) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL10074145 0.82 MMP2 (0.50) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873477 0.81 LAP3 (0.40) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6874634 0.81 LAP3 (0.40) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL13195323 0.81 DPP4 (0.39) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873033 0.81 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6872645 0.80 DPP4 (0.42) LAP3ANPEPRNPEPDNPEPDPP4

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
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
WO-2011026781-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2011-03-10 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP 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-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 LAP3 88/4885ANPEP 13/4885RNPEP 29/4885

“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.