SCHEMBL146828

SCHEMBL146828

O=C(OC(=O)[C@H]1CCCN1)[C@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
DPP4 P27487 6/20 0.43
DPP8 Q6V1X1 4/20 0.42
DPP9 Q86TI2 4/20 0.42
FAP Q12884 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ELANE P08246 1/20 0.40
PRCP P42785 1/20 0.40
GLI1 P08151 1/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN4A P35499 1/20 0.38

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
SCHEMBL6859669 1.00 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL995604 1.00 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL9737609 0.96 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL31298402 0.94 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL10885146 0.93 NOS2 (0.40) NOS2NOS3NOS1DPP4DPP8
SCHEMBL17503226 0.89 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28288006 0.89 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL10888007 0.87 NOS2 (0.40) NOS2NOS3NOS1DPP4PRCP
SCHEMBL2228248 0.87 NOS2 (0.41) NOS2NOS3NOS1DPP4DPP8
SCHEMBL4001212 0.87 NOS2 (0.41) NOS2NOS3NOS1DPP4DPP8

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-20130143201-A1 Crystallographic structure of TcPRACA and uses therefor MINOPRIO PAOLA (FR) 2013-06-06 US disclosed
US-20120058135-A1 Identification and characterization of racemases, definition of protein signatures, and a test for detecting D-amino acid and for screening molecules capable of inhibiting the activity of racemase, especially proline racemase INSTITUT PASTEUR 2012-03-08 US disclosed
US-8099245-B2 Proline racemase crystal for use in design of drugs to prevent trypanosoma infection INSTITUT PASTEUR (FR) 2012-01-17 US disclosed
EP-1629092-B1 CRYSTALLOGRAPHIC STRUCTURE OF TRYPANOSOMA CRUZI PROLINE RACEMASE (TcPRACA) AND USES THEREOF PASTEUR INSTITUT (FR) 2010-12-01 EP disclosed
US-20100196943-A2 IDENTIFICATION AND CHARACTERIZATION OF RACEMASES, DEFINITION OF PROTEIN SIGNATURES, AND A TEST FOR DETECTING D-AMINO ACID AND FOR SCREENING MOLECULES CAPABLE OF INHIBITING THE ACTIVITY OF RACEMASE, ESPECIALLY PROLINE RACEMASE INSTITUT PASTEUR (FR) 2010-08-05 US disclosed
US-20080113422-A1 Crystallographic Structure Of Tcpraca And Uses Therefor INSTITUT PASTEUR (FR) 2008-05-15 US disclosed
EP-1629092-A2 CRYSTALLOGRAPHIC STRUCTURE OF TRYPANOSOMA CRUZI PROLINE RACEMASE (TcPRACA) AND USES THEREOF INSTITUT PASTEUR (FR) 2006-03-01 EP disclosed
EP-1592788-A2 IDENTIFICATION AND CHARACTERIZATION OF RACEMASES, DEFINITION OF PROTEIN SIGNATURES, AND A TEST FOR DETECTING D-AMINO ACID AND FOR SCREENING MOLECULES CAPABLE OF INHIBITING THE ACTIVITY OF RACEMASE, ESPECIALLY PROLINE RACEMASE INSTITUT PASTEUR (FR) 2005-11-09 EP disclosed
WO-2004106506-A2 CRYSTALLOGRAPHIC STRUCTURE OF TRYPANOSOMA CRUZI PROLINE RACEMASE (TCPRACA) AND USES THEREOF INSTITUT PASTEUR (FR) 2004-12-09 WO disclosed
WO-2004072223-A2 IDENTIFICATION AND CHARACTERIZATION OF RACEMASES, DEFINITION OF PROTEIN SIGNATURES, AND A TEST FOR DETECTING D-AMINO ACID AND FOR SCREENING MOLECULES CAPABLE OF INHIBITING THE ACTIVITY OF RACEMASE, ESPECIALLY PROLINE RACEMASE INSTITUT PASTEUR (FR) 2004-08-26 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 (1 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-20120058135-A1 Identification and characterization of racemases, definition of protein signatures, and a test for detecting D-amino acid and for screening molecules capable of inhibiting the activity of racemase, especially proline racemase PADI4, IDE, PADI1 NOS2 29/4885NOS3 38/4885NOS1 17/4885

“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.