SCHEMBL326662

SCHEMBL326662

NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(CC(=O)O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 1.00
PRSS1 P07477 2/20 1.00
PRSS2 P07478 2/20 1.00
PRSS3 P35030 2/20 1.00
PLG P00747 4/20 0.77
PLAU P00749 1/20 0.77
F11 P03951 6/20 0.67
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
USP30 Q70CQ3 4/20 0.55
LMNA P02545 1/20 0.52

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
Hydrochloric Acid SCHEMBL29356307 0.99 KLKB1 (0.98) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL26628958 0.98 KLKB1 (0.96) KLKB1PRSS1PRSS2PRSS3PLG
SCHEMBL7066988 0.84 KLKB1 (0.73) KLKB1PRSS1PRSS2PRSS3PLG
SCHEMBL7066980 0.84 KLKB1 (0.73) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL19988159 0.84 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL19988160 0.84 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL14159640 0.84 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL14159641 0.84 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL10425157 0.83 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL10425156 0.83 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3PLG

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 US disclosed
US-20160257708-A1 ACYLATED 4-AMIDINO- AND 4-GUANIDINOBENZYLAMINES FOR THE INHIBITION OF PLASMA KALLIKREIN CURACYTE CHEMISTRY GMBH (DE) 2016-09-08 US disclosed
US-9365613-B2 Acylated 4-amidino- and -4-guanidinobenzylamines for inhibition of plasma kallikrein THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2016-06-14 US disclosed
EP-2528895-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2016-03-30 EP disclosed
US-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 US disclosed
EP-2590945-B1 SERINE PROTEASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2014-04-30 EP disclosed
US-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-13 US disclosed
US-8598206-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-12-03 US disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 US disclosed
US-8513461-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-08-20 US disclosed
EP-2590945-A2 SERINE PROTEASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2013-05-15 EP disclosed
US-8410310-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-04-02 US disclosed
EP-2528895-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicines Company (Leipzig) GmbH (DE) 2012-12-05 EP disclosed
US-20120225913-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicine Company (Leipzig) GmbH (DE) 2012-09-06 US disclosed
US-8207378-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-26 US disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 WO disclosed
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-12-08 US disclosed
WO-2011094496-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (US) 2011-08-04 WO disclosed
US-20100022781-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-01-28 US disclosed
US-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2006-07-06 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 (7 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-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein F12, F11, F2 KLKB1 4/4885PRSS1 128/4885PRSS2 254/4885
US-20120225913-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, TFPI, SPINT2 KLKB1 21/4885PRSS1 9/4885PRSS2 13/4885
US-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 KLKB1 6/4885PRSS1 7/4885PRSS2 15/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 KLKB1 6/4885PRSS1 7/4885PRSS2 15/4885
US-20100022781-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, TFPI, SPINT2 KLKB1 19/4885PRSS1 9/4885PRSS2 12/4885
US-20160257708-A1 ACYLATED 4-AMIDINO- AND 4-GUANIDINOBENZYLAMINES FOR THE INHIBITION OF PLASMA KALLIKREIN F12, F2, F11 KLKB1 4/4885PRSS1 150/4885PRSS2 316/4885
US-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 KLKB1 2/4885PRSS1 18/4885PRSS2 56/4885

“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.