SCHEMBL15712090

SCHEMBL15712090

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ FAP Q12884 1/20 0.41
▸ XIAP P98170 1/20 0.39
▸ FKBP5 Q13451 2/20 0.39
▸ OPRM1 P35372 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ FKBP1A P62942 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
SCHEMBL15028072 0.86 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL13263356 0.82 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334875 0.81 DPP4 (0.35) DPP4DPP8DPP7DPP9FAP
SCHEMBL12658501 0.79 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL13399328 0.79 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386487 0.79 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334874 0.78 DPP4 (0.33) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386493 0.78 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285635 0.77 DPP4 (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285822 0.76 DPP4 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192646-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 — — US disclosed
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof BACH BIOSCIENCES, LLC 2015-06-11 — — US disclosed
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 — — US disclosed
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2014-05-08 — — 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-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP7 8/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP7 8/4885

“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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