SCHEMBL6009004

SCHEMBL6009004

Cc1cccc(S(=O)(=O)[C@H](N)C(N)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.46
SLC1A2 P43004 6/20 0.46
SLC1A1 P43005 5/20 0.46
KMT2A Q03164 1/20 0.41
FBP1 P09467 7/20 0.40
KAT6A Q92794 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASR P41180 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL6009009 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1KMT2AFBP1
Hydrochloric Acid SCHEMBL7373021 0.98 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1KMT2AFBP1
SCHEMBL7651611 0.81 SLC1A2 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL382144 0.81 SLC1A2 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL382914 0.80 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL6006923 0.79 SLC1A3 (0.66) SLC1A3SLC1A2SLC1A1KMT2AKAT6A
SCHEMBL6006917 0.79 SLC1A3 (0.66) SLC1A3SLC1A2SLC1A1KMT2AKAT6A
SCHEMBL28327825 0.74 NLRP3 (0.45) KMT2AFBP1ALDH1A1MAPTHPGD
SCHEMBL7866977 0.74 KYNU (0.50) KMT2AFBP1
SCHEMBL7374081 0.72 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MAPT

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-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed