SCHEMBL5034019

SCHEMBL5034019

COc1ccc2sc(C(=O)OC(C)C)c(Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.55
SELE P16581 2/20 0.55
VCAM1 P19320 1/20 0.55
PRNP P04156 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PPARG P37231 1/20 0.53
HTT P42858 1/20 0.53
MAPK10 P53779 1/20 0.53
NCOA2 Q15596 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
COMT P21964 1/20 0.46

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
SCHEMBL6656891 0.85 MAPK1 (0.58) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL5034022 0.84 ICAM1 (0.74) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL10374441 0.82 ICAM1 (0.51) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL12553284 0.81 COMT (0.45) ICAM1SELETSHRMAPTALDH1A1
SCHEMBL5212677 0.81 RXFP1 (0.60) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL1447569 0.81 PRNP (0.60) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL6196210 0.81 RXFP1 (0.53) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL9433072 0.80 PRNP (0.81) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL5211159 0.80 NPSR1 (0.52) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL6021129 0.78 STING1 (0.48) PRNPTSHRMAPK1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 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 (2 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B ICAM1 457/4885SELE 145/4885VCAM1 493/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B ICAM1 457/4885SELE 145/4885VCAM1 493/4885

“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.