SCHEMBL13285635

SCHEMBL13285635

CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=O)N(C)CB(O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.45
▸ DPP8 Q6V1X1 4/20 0.45
▸ DPP7 Q9UHL4 3/20 0.45
▸ DPP9 Q86TI2 3/20 0.45
▸ FAP Q12884 2/20 0.45
▸ XIAP P98170 1/20 0.38
▸ FKBP5 Q13451 1/20 0.38
▸ TACR1 P25103 6/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ F2 P00734 1/20 0.35

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
SCHEMBL12658501 0.81 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL13399328 0.81 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386487 0.81 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL13263356 0.81 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386493 0.80 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP
SCHEMBL15028072 0.79 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285822 0.78 DPP4 (0.64) DPP4DPP8DPP7DPP9FAP
SCHEMBL15712090 0.77 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL8246705 0.74 DPP4 (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL24440806 0.73 DPP4 (0.56) DPP4DPP8DPP7DPP9FAP

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-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 — — US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 — — US disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 — — 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 (2 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885DPP8 21/4885DPP7 19/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885DPP8 21/4885DPP7 19/4885

“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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