SCHEMBL15028138

SCHEMBL15028138

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=S)N1CC[C@@H](B(O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.45
▸ DPP7 Q9UHL4 9/20 0.45
▸ DPP8 Q6V1X1 8/20 0.45
▸ DPP9 Q86TI2 6/20 0.45
▸ FAP Q12884 5/20 0.45
▸ XIAP P98170 1/20 0.39
▸ ELANE P08246 3/20 0.35
▸ PREP P48147 2/20 0.34
▸ PITRM1 Q5JRX3 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
SCHEMBL12343997 0.91 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL12344003 0.85 DPP4 (0.60) DPP4DPP7DPP8DPP9FAP
SCHEMBL12344393 0.82 DPP4 (0.58) DPP4DPP7DPP8DPP9FAP
SCHEMBL12343996 0.80 DPP4 (0.36) DPP4DPP7DPP8DPP9FAP
SCHEMBL13263365 0.80 DPP4 (0.67) DPP4DPP7DPP8DPP9FAP
SCHEMBL15386479 0.80 DPP4 (0.67) DPP4DPP7DPP8DPP9FAP
SCHEMBL12343999 0.78 DPP4 (0.42) DPP4DPP7DPP8DPP9FAP
SCHEMBL16387819 0.77 DPP4 (0.41) DPP4DPP7DPP8DPP9FAP
SCHEMBL12658428 0.77 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL12658525 0.77 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP

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-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-06-13 — — 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-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP7 8/4885DPP8 13/4885

“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.

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