SCHEMBL10077068

SCHEMBL10077068

CC(=O)O[C@@H](C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC1)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
AKT1 P31749 1/20 0.42
TGM2 P21980 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPK1 P28482 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10074723 1.00 ITGB3 (0.47) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10077069 0.92 DPP4 (0.49) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10054396 0.92 DPP4 (0.49) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10074146 0.92 DPP4 (0.49) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10074994 0.89 DPP4 (0.46) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10077056 0.89 DPP4 (0.46) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10054405 0.89 DPP4 (0.46) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10078256 0.89 DPP4 (0.46) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10074731 0.89 SIRT5 (0.41) ITGB3ITGA2BDPP4DPP8DPP9
SCHEMBL10054406 0.89 DPP4 (0.48) ITGB3ITGA2BDPP4DPP8DPP9

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 ITGB3 4136/4885ITGA2B 3392/4885DPP4 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.