SCHEMBL3551561

SCHEMBL3551561

O=C1C2=C(N=CCS2)C(=O)c2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
TDP2 O95551 3/20 0.47
NSD2 O96028 3/20 0.47
PAX8 Q06710 3/20 0.47
ABL1 P00519 1/20 0.47
PLCG1 P19174 1/20 0.47
CES1 P23141 1/20 0.47
RIN1 Q13671 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
S100A4 P26447 6/20 0.45
CDC25B P30305 2/20 0.45
PADI1 Q9ULC6 3/20 0.41

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
SCHEMBL3540607 0.82 S100A4 (0.52) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL3554537 0.71 TDP2 (0.45) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL5915065 0.71 TDP2 (0.81) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL29746876 0.69 GAA (0.78) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL1103717 0.69 GAA (0.78) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL5915061 0.69 GAA (0.86) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL7710160 0.68 TDP2 (0.47) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL9267635 0.67 TDP2 (0.74) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL460433 0.67 TDP2 (1.00) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL29551149 0.67 GAA (1.00) PTPRCCTSLCTSSPTPN13TDP2

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
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES PTPRC 3605/4885CTSL 697/4885CTSS 583/4885

“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.