SCHEMBL17814216

SCHEMBL17814216

C[C@H](NC(=O)[C@@H](N)C1CCCCC1)B(O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.55
▸ DPP8 Q6V1X1 4/20 0.51
▸ DPP9 Q86TI2 4/20 0.51
▸ DPP7 Q9UHL4 3/20 0.51
▸ FAP Q12884 2/20 0.51
▸ GLS O94925 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL13295506 0.89 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL13285826 0.84 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL13259713 0.84 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL15386492 0.84 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028167 0.80 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028132 0.79 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028136 0.79 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL15087472 0.77 DPP4 (0.41) DPP4DPP7GLSCA12CA1
SCHEMBL10213727 0.76 DPP4 (0.37) DPP4DPP7GLSCA12CA1
SCHEMBL29886476 0.75 ALDH1A1 (0.55) DPP4DPP7GLSCA12CA1

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-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES BACH BIOSCIENCES, LLC 2017-11-23 — — US disclosed
US-9757400-B2 Peptidomimetic inhibitors of post-proline cleaving enzymes TRUSTEES OF TUFTS COLLEGE (US) 2017-09-12 — — US disclosed
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes BACH BIOSCIENCES, LLC 2016-06-09 — — 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-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES PREP, PEPD, DNPEP DPP4 5/4885DPP8 11/4885DPP9 9/4885
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes PREP, PEPD, DNPEP DPP4 5/4885DPP8 11/4885DPP9 9/4885

“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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