SCHEMBL1828859

SCHEMBL1828859

C[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1OBON1CCC[C@H]1C(=O)OC(=O)[C@H](C)N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
DPP4 P27487 3/20 0.33
FAP Q12884 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
PREP P48147 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PEPD P12955 2/20 0.30
XPNPEP1 Q9NQW7 1/20 0.30

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
SCHEMBL4354920 0.74 RAB9A (0.33) RAB9A
SCHEMBL2804282 0.73 HSD17B10 (0.39)
SCHEMBL11036662 0.69 DPP4 (0.47) DPP4FAPDPP7DPP8DPP9
SCHEMBL1271957 0.68 DPP4 (0.40) DPP4FAPDPP7DPP8DPP9
SCHEMBL15657015 0.68 TP53 (0.39) DPP4FAPDPP7PREPDPP8
SCHEMBL137918 0.67 DPP4 (0.34) DPP4FAPDPP7PREPDPP8
SCHEMBL3692761 0.66 DPP4 (0.41) DPP4FAPDPP7DPP8DPP9
SCHEMBL30092801 0.64 RAB9A (0.41) RAB9ADPP4FAPDPP7PREP
SCHEMBL3422835 0.64 DPP8 (0.45) DPP4FAPDPP7DPP8DPP9
SCHEMBL15024154 0.63 ACE (0.36) RAB9ADPP4FAPDPP7PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 US disclosed
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
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 EP disclosed
EP-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 EP disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 US disclosed
US-20060089312-A1 Protease inhibitors BACH BIOSCIENCES, LLC 2006-04-27 US disclosed
EP-1499336-A4 PROTEASE INHIBITORS TUFTS COLLEGE (US) 2005-06-01 EP disclosed
EP-1499336-A2 PROTEASE INHIBITORS Trustees of Tufts College (US) 2005-01-26 EP disclosed
WO-2003092605-A9 PROTEASE INHIBITORS TUFTS COLLEGE (US) 2004-04-08 WO disclosed
WO-2003092605-A2 PROTEASE INHIBITORS TRUSTEES OF TUFTS COLLEGE (US) 2003-11-13 WO 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC RAB9A 806/4885DPP4 8/4885FAP 1/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC RAB9A 806/4885DPP4 8/4885FAP 1/4885
US-20060089312-A1 Protease inhibitors FAP, PREP, TFPI RAB9A 1115/4885DPP4 14/4885FAP 1/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC RAB9A 806/4885DPP4 8/4885FAP 1/4885

“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.