SCHEMBL5690689

SCHEMBL5690689

Cc1ccc(S(=O)(=O)N(C(=O)C2CS(=O)(=O)CCN2)[C@@H](Cc2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
MMP13 P45452 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
PTPRB P23467 2/20 0.39
PTPN11 Q06124 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
STS P08842 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL5690759 0.94 TRPV1 (0.41) TRPV1ALDH1A1GAAKMT2AMAPT
SCHEMBL5690598 0.88 MAPT (0.37) TRPV1ALDH1A1GAAKMT2AMEN1
SCHEMBL5691009 0.87 MAPT (0.40) TRPV1ALDH1A1GAAKMT2AMAPT
SCHEMBL5690856 0.86 ENPP3 (0.35) TRPV1ALDH1A1GAAKMT2AMEN1
SCHEMBL5692100 0.84 PTPN2 (0.44) PTPN2PTPN1PTPN6MMP13TRPV1
SCHEMBL7970301 0.82 PTPN2 (0.44) PTPN2PTPN1PTPN6MMP13TRPV1
SCHEMBL5690785 0.81 ENPP3 (0.36) TRPV1ALDH1A1GAARAB9AKMT2A
SCHEMBL5655126 0.81 CYP2C9 (0.39) MMP13NPC1RAB9AKMT2AMEN1
SCHEMBL5691919 0.80 MAPT (0.36) TRPV1ALDH1A1GAAKMT2AMEN1
SCHEMBL3869306 0.79 P2RX7 (0.36) MMP13ALDH1A1KMT2AMEN1STAT3

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 4 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
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US 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