SCHEMBL6402000

SCHEMBL6402000

N[C@@H](Cc1ccc(F)cc1)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
ALDH1A1 P00352 1/20 0.53
PTPN1 P18031 2/20 0.50
GRB2 P62993 1/20 0.50
ACE P12821 2/20 0.48
GPR34 Q9UPC5 2/20 0.46
TPH1 P17752 3/20 0.46
KIF11 P52732 2/20 0.45
POLB P06746 1/20 0.45
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
CA2 P00918 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
SCHEMBL6401999 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL933401 0.85 ACE (0.56) ALDH1A1ACE
Dl-Phenylalanine SCHEMBL7525343 0.85 SLC7A5 (0.79) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL7525344 0.85 SLC7A5 (0.79) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL71782 0.85 ACE (0.56) ALDH1A1ACE
SCHEMBL71781 0.85 ACE (0.56) ALDH1A1ACE
Trifluoroacetic Acid SCHEMBL31261335 0.80 GRB2 (0.69) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22503609 0.80 ALDH1A1 (0.64) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22503819 0.80 ALDH1A1 (0.64) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31289125 0.80 ALDH1A1 (0.64) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175922-A1 ANTIBODY FORMULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2022-06-09 US disclosed
US-11179463-B2 BLyS antibody formulation GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED 2021-11-23 US disclosed
US-20200222535-A1 ANTIBODY FORMULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2020-07-16 US disclosed
US-20180289804-A1 ANTIBODY FORMULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2018-10-11 US disclosed
US-9624261-B2 Buffer system for protein purification GLAXOSMITHKLINE LLC (US) 2017-04-18 US disclosed
US-20160312179-A1 USE OF TRICARBOXYLIC ACID (TCA) INTERMEDIATES TO CONTROL AMMONIA GENERATION IN CELL CULTURE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-10-27 US disclosed
US-20140018525-A1 BUFFER SYSTEM FOR PROTEIN PURIFICATION GLAXOSMITHKLINE LLC (US) 2014-01-16 US disclosed
US-20050019841-A1 Modulation of signaling pathways ARBOR VITA CORPORATION (US) 2005-01-27 US disclosed
WO-1994005695-A1 POLYPEPTIDES OF G-COUPLED RECEPTOR PROTEINS, AND COMPOSITIONS AND METHODS THEREOF NEW YORK UNIVERSITY (US) 1994-03-17 WO disclosed