SCHEMBL2353607

SCHEMBL2353607

N[C@H](CCc1ccncc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.51
GRM4 Q14833 1/20 0.51
ERAP2 Q6P179 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
ANPEP P15144 2/20 0.50
GRIK1 P39086 2/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
KIF11 P52732 4/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL1457765 1.00 GRM8 (0.51) GRM8GRM4ERAP2ERAP1ANPEP
SCHEMBL2353606 1.00 GRM8 (0.51) GRM8GRM4ERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL8126557 0.98 GRM8 (0.50) GRM8GRM4ERAP2ERAP1ANPEP
SCHEMBL27800436 0.90 MMP12 (0.61) GRM8GRM4ERAP2ERAP1ANPEP
SCHEMBL2352037 0.89 GRIK1 (0.54) GRM8GRM4ERAP2ERAP1ANPEP
SCHEMBL2352046 0.89 GRIK1 (0.54) GRM8GRM4ERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL27800515 0.89 MMP12 (0.60) GRM8GRM4ERAP2ERAP1ANPEP
Homophenylalanine SCHEMBL17964543 0.88 ALPI (0.53) ERAP2ERAP1ANPEPGRIK1GRIA1
SCHEMBL27255501 0.86 HRH1 (0.51) GRM8GRM4ERAP2ERAP1ANPEP
SCHEMBL14795607 0.85 LOXL2 (0.45) GRM8GRM4ERAP2ERAP1ANPEP

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 7 patents. 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
EP-2528895-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2016-03-30 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
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-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

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-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 GRM8 4778/4885GRM4 4783/4885ERAP2 622/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 GRM8 4778/4885GRM4 4783/4885ERAP2 622/4885

“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.