SCHEMBL5223311

SCHEMBL5223311

O=C(O)CN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(COc3ccccc3)c2)SC1=S

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.76
PTPN1 P18031 6/20 0.76
MMP3 P08254 2/20 0.70
MMP13 P45452 2/20 0.70
GFER P55789 1/20 0.70
PTPN2 P17706 1/20 0.68
ADAMTS5 Q9UNA0 1/20 0.67

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
SCHEMBL5214275 1.00 AKR1B1 (0.76) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL5219645 0.92 PTPN1 (0.79) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL5214902 0.92 PTPN1 (0.79) AKR1B1PTPN1MMP3MMP13GFER
SCHEMBL21326681 0.88 ADAMTS5 (0.82) AKR1B1PTPN1ADAMTS5
SCHEMBL5218728 0.87 ADAMTS5 (0.89) AKR1B1PTPN1ADAMTS5
SCHEMBL5218721 0.87 ADAMTS5 (0.89) AKR1B1PTPN1ADAMTS5
SCHEMBL7146814 0.85 AKR1B1 (0.77) AKR1B1PTPN1PTPN2
SCHEMBL7146812 0.85 AKR1B1 (0.77) AKR1B1PTPN1PTPN2
SCHEMBL7142543 0.84 ADAMTS5 (0.80) AKR1B1PTPN1PTPN2ADAMTS5
SCHEMBL7142541 0.84 ADAMTS5 (0.80) AKR1B1PTPN1PTPN2ADAMTS5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313471-B1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS UCB SA (BE) 2007-04-11 EP claimed
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-08 US claimed

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-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 AKR1B1 594/4885PTPN1 1590/4885MMP3 3555/4885

“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.