SCHEMBL12340799

SCHEMBL12340799

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.57
▸ PSMB5 P28074 13/20 0.44
▸ ANPEP P15144 1/20 0.43
▸ PSMB8 P28062 2/20 0.41
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ PSMB1 P20618 2/20 0.35
▸ CTRB1 P17538 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMA1 P25786 1/20 0.34
▸ PSMA2 P25787 1/20 0.34
▸ PSMA3 P25788 1/20 0.34
▸ PSMA4 P25789 1/20 0.34
▸ PSMB9 P28065 1/20 0.34
▸ PSMA5 P28066 1/20 0.34
▸ PSMB4 P28070 1/20 0.34
▸ PSMB6 P28072 1/20 0.34
▸ LONP1 P36776 1/20 0.34
▸ PSMB10 P40306 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
SCHEMBL15028164 0.87 PSMB5 (0.43) DPP4PSMB5ANPEPPSMB8PSMB1
SCHEMBL12340801 0.79 PSMB5 (0.47) PSMB5PSMB8PSMB1
SCHEMBL12340810 0.77 PSMB5 (0.44) DPP4PSMB5ANPEPPSMB8PSMB1
SCHEMBL12340797 0.77 DPP8 (0.62) DPP4PSMB5PSMB8DPP8DPP7
SCHEMBL12340805 0.75 PSMB5 (0.57) PSMB5PSMB8PSMB1CTRB1PSMB2
SCHEMBL15028118 0.73 DPP4 (1.00) DPP4ANPEPDPP8DPP7
SCHEMBL12340738 0.73 DPP4 (1.00) DPP4ANPEPDPP8DPP7
SCHEMBL10952773 0.69 PSMB5 (0.56) PSMB5PSMB8PSMB1CTRB1PSMB11
SCHEMBL12340807 0.69 PSMB5 (0.60) PSMB5PSMB8PSMB1PSMB11PSMA7
SCHEMBL21558113 0.68 PSMB5 (0.54) PSMB5PSMB8PSMB1PSMB11PSMA7

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 10 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-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 (4 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-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885PSMB5 142/4885ANPEP 15/4885
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF PREP, DPP4, PEPD DPP4 2/4885PSMB5 142/4885ANPEP 15/4885
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885PSMB5 142/4885ANPEP 15/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885PSMB5 142/4885ANPEP 15/4885

“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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