SCHEMBL3668631

SCHEMBL3668631

COc1cc(C=CC=C2SC(=O)NC2=O)ccc1OCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.64
MTNR1A P48039 1/20 0.64
PTGES O14684 5/20 0.56
PTPN1 P18031 1/20 0.56
IGF1R P08069 1/20 0.55
PIM1 P11309 2/20 0.53
PIM3 Q86V86 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
PDE4B Q07343 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GSK3B P49841 2/20 0.50
HPGD P15428 2/20 0.50
CDC7 O00311 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
PHKG2 P15735 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL3669823 0.85 IGF1R (0.60) IGF1RPIM1PIM3PIM2PDE4B
SCHEMBL4261320 0.82 PIM1 (0.73) PTPN1IGF1RPIM1PIM3PIM2
SCHEMBL6972866 0.79 PDE4B (0.58) IGF1RPIM1PIM3PIM2PDE4B
SCHEMBL6972871 0.79 PDE4B (0.58) IGF1RPIM1PIM3PIM2PDE4B
Boropinal SCHEMBL18265488 0.78 MTNR1A (1.00) TRPA1MTNR1APTGESPDE4BALOX5
SCHEMBL8180280 0.78 PIM1 (0.70) PTPN1IGF1RPIM1PIM3PIM2
SCHEMBL8180277 0.78 PIM1 (0.70) PTPN1IGF1RPIM1PIM3PIM2
SCHEMBL8179972 0.77 IGF1R (0.71) PTPN1IGF1RPIM1PIM3PIM2
SCHEMBL8172585 0.77 HPGD (0.50) PIM1PIM3PIM2PDE4BHPGD
SCHEMBL8172583 0.77 HPGD (0.50) PIM1PIM3PIM2PDE4BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TRPA1 443/4885MTNR1A 817/4885PTGES 134/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TRPA1 443/4885MTNR1A 817/4885PTGES 134/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TRPA1 443/4885MTNR1A 817/4885PTGES 134/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TRPA1 443/4885MTNR1A 817/4885PTGES 134/4885

“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.