SCHEMBL2391827

SCHEMBL2391827

COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
BACE1 P56817 8/20 0.40
CTSD P07339 4/20 0.40
BIRC2 Q13490 1/20 0.40
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.36
FOLH1 Q04609 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL27760490 0.89 DPP4 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL2391821 0.89 DPP4 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30910779 0.87 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29452652 0.86 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL27436596 0.84 DPP4 (0.55) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29613342 0.80 DPP4 (0.48) DPP4DPP8DPP9BACE1CTSD
SCHEMBL537130 0.79 DPP4 (0.59) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29499873 0.79 DPP4 (0.59) DPP4DPP8DPP9BACE1CTSD
SCHEMBL5970284 0.79 DPP4 (0.59) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30910801 0.79 BIRC2 (0.45) DPP4DPP8DPP9CTSDBIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 DPP4 248/4885DPP8 279/4885DPP9 132/4885

“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.