SCHEMBL5690922

SCHEMBL5690922

CCOC(=O)[C@H](Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)N(C(=O)[C@H]1NCCC1(C)C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
MEN1 O00255 2/20 0.37
STS P08842 3/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5692100 0.93 PTPN2 (0.44) PTPN2PTPN1PTPN6TRPV1MAPT
SCHEMBL7970301 0.81 PTPN2 (0.44) PTPN2PTPN1PTPN6TRPV1LMNA
SCHEMBL5690230 0.80 MAPT (0.38) TRPV1LMNAMAPTKMT2AHTT
SCHEMBL5690868 0.79 HDAC8 (0.45) PTPN1KMT2ATDP1MEN1
SCHEMBL5691009 0.78 MAPT (0.40) TRPV1LMNAMAPTKMT2AHTT
SCHEMBL5690689 0.78 PTPN2 (0.43) PTPN2PTPN1PTPN6TRPV1MAPT
SCHEMBL3852344 0.75 P2RX7 (0.32) KMT2AMEN1ALDH1A1
SCHEMBL5852341 0.74 PTPN2 (0.48) PTPN2PTPN1PTPN6TRPV1LMNA
SCHEMBL5850463 0.73 PTPN2 (0.46) PTPN2PTPN1PTPN6TRPV1LMNA
SCHEMBL5690785 0.72 ENPP3 (0.36) TRPV1LMNAMAPTKMT2AHTT

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
EP-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
EP-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US disclosed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed