SCHEMBL10074148

SCHEMBL10074148

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1cccc(NC(=O)[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1)C(=O)N1CCSC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CMA1 P23946 5/20 0.40
CTRC Q99895 4/20 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
SCHEMBL10074323 1.00 SIRT5 (0.43) SIRT5HDAC4HDAC1ITGB3ITGA2B
SCHEMBL10074731 0.94 SIRT5 (0.41) SIRT5HDAC4HDAC1ITGB3ITGA2B
SCHEMBL10054396 0.88 DPP4 (0.49) HDAC1ITGB3ITGA2BDPP4DPP8
SCHEMBL10077069 0.88 DPP4 (0.49) HDAC1ITGB3ITGA2BDPP4DPP8
SCHEMBL10074146 0.88 DPP4 (0.49) HDAC1ITGB3ITGA2BDPP4DPP8
SCHEMBL10074998 0.87 DPP4 (0.53) SIRT5ITGB3ITGA2BDPP4DPP8
SCHEMBL10078264 0.87 DPP4 (0.53) SIRT5ITGB3ITGA2BDPP4DPP8
SCHEMBL10077082 0.87 ALDH1A1 (0.46) SIRT5HDAC4HDAC1ITGB3ITGA2B
SCHEMBL10074996 0.87 ALDH1A1 (0.46) SIRT5HDAC4HDAC1ITGB3ITGA2B
SCHEMBL10077068 0.83 ITGB3 (0.47) HDAC1ITGB3ITGA2BDPP4DPP8

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
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 SIRT5 3831/4885HDAC4 1706/4885HDAC1 1635/4885

“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.