SCHEMBL7487682

SCHEMBL7487682

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
AKR1B1 P15121 8/20 0.57
PTPN1 P18031 5/20 0.57
MMP3 P08254 2/20 0.57
MMP13 P45452 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 1/20 0.54

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
SCHEMBL7487680 1.00 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6885013 0.96 PTPN12 (0.64) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6885016 0.96 PTPN12 (0.64) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6793003 0.93 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6793007 0.93 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489851 0.92 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484742 0.92 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484734 0.92 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489859 0.92 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7492436 0.92 PTPN12 (0.69) 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