SCHEMBL6793007

SCHEMBL6793007

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.62
PTPN22 Q9Y2R2 1/20 0.62
AKR1B1 P15121 8/20 0.58
PTPN1 P18031 5/20 0.58
MMP3 P08254 2/20 0.58
MMP13 P45452 2/20 0.58
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL6793003 1.00 PTPN12 (0.62) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484742 0.99 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7484734 0.99 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489851 0.99 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7489859 0.99 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6885016 0.97 PTPN12 (0.64) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL6885013 0.97 PTPN12 (0.64) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7487680 0.93 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7487682 0.93 PTPN12 (0.61) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL7495526 0.93 PTPN12 (0.66) 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 7 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
US-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-10-07 US disclosed
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
EP-1192144-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS 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
WO-2000076988-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives APP, PSEN1, PSEN2 PTPN12 4871/4885PTPN22 4833/4885AKR1B1 1592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.