SCHEMBL7484747

SCHEMBL7484747

CCCCCCCCN(C)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.60
▸ PTPN22 Q9Y2R2 1/20 0.60
▸ AKR1B1 P15121 8/20 0.56
▸ PTPN1 P18031 5/20 0.56
▸ MMP3 P08254 2/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL7484741 1.00 PTPN12 (0.60) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6791768 1.00 PTPN12 (0.60) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6791775 1.00 PTPN12 (0.60) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7486208 0.96 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7486213 0.96 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7486647 0.96 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489851 0.91 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484742 0.91 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489859 0.91 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484734 0.91 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3

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-1192143-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP claimed
WO-2000076987-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO claimed
EP-1192143-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076987-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO disclosed
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