SCHEMBL12340737

SCHEMBL12340737

CC(C)[C@H](N)C(=S)N[C@@H](C)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 1.00
▸ DPP8 Q6V1X1 5/20 0.59
▸ DPP9 Q86TI2 5/20 0.59
▸ DPP7 Q9UHL4 2/20 0.59
▸ FAP Q12884 2/20 0.59
▸ SLC7A5 Q01650 1/20 0.31

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
SCHEMBL15028064 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028118 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL12340738 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028166 0.79 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028165 0.75 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL12340735 0.74 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL15028167 0.69 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL8232103 0.65 DPP4 (0.48) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL15750313 0.64 — —
SCHEMBL15334867 0.64 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF BACH BIOSCIENCES, LLC 2016-09-01 — — US disclosed
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
US-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 — — US disclosed
US-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-06-13 — — US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 — — US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 — — US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 — — US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 — — 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 (5 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 2/4885DPP8 13/4885DPP9 12/4885
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP9 12/4885
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP9 12/4885
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP9 12/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP8 13/4885DPP9 12/4885

“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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