Proline

Proline

SCHEMBL146827

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

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ NOS2 P35228 2/20 0.50
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ DPP4 P27487 4/20 0.48
▸ DPP8 Q6V1X1 2/20 0.48
▸ DPP9 Q86TI2 2/20 0.48
▸ LMNA P02545 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SLC6A1 P30531 2/20 0.43
▸ FAP Q12884 1/20 0.43

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
Proline SCHEMBL10141185 1.00 — —
Proline SCHEMBL7792 1.00 — —
Proline SCHEMBL718906 1.00 BLM (0.52) BLMMEN1KMT2ANOS2NOS3
Proline SCHEMBL458825 1.00 BLM (0.52) BLMMEN1KMT2ANOS2NOS3
Proline SCHEMBL18875607 1.00 — —
Proline SCHEMBL10141181 1.00 — —
Proline SCHEMBL6894672 1.00 BLM (0.52) BLMMEN1KMT2ANOS2NOS3
Proline SCHEMBL6894675 1.00 BLM (0.52) BLMMEN1KMT2ANOS2NOS3
D-Proline SCHEMBL21462052 1.00 BLM (0.52) BLMMEN1KMT2ANOS2NOS3
Proline SCHEMBL13248912 1.00 — —

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 11 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-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 — — EP 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 BLM 4278/4885MEN1 2753/4885KMT2A 3442/4885

“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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