SCHEMBL1449166

SCHEMBL1449166

Cc1c(O)cccc1/C=C1/SC(=S)NC1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 7/20 0.74
PIM1 P11309 3/20 0.59
PDE4B Q07343 1/20 0.57
PTP4A3 O75365 1/20 0.56
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
HSP90AA1 P07900 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYC P01106 2/20 0.54
MAX P61244 2/20 0.54
MAOB P27338 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
PSMD14 O00487 1/20 0.53
ALPL P05186 1/20 0.53
MMP2 P08253 1/20 0.53

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
Acetic Acid SCHEMBL5132123 0.95 NAT1 (0.67) NAT1PIM1PDE4BPTP4A3MEN1
SCHEMBL18102942 0.86 NAT1 (0.78) NAT1PIM1PDE4BPTP4A3MYC
SCHEMBL3425968 0.85 NAT1 (1.00) NAT1PIM1PTP4A3MYCMAX
SCHEMBL15421702 0.85 NAT1 (1.00) NAT1PIM1PTP4A3MYCMAX
SCHEMBL3425971 0.85 NAT1 (1.00) NAT1PIM1PTP4A3MYCMAX
SCHEMBL18102951 0.83 NAT1 (0.74) NAT1PIM1PDE4BPTP4A3MYC
SCHEMBL18103030 0.83 PDE4B (0.75) NAT1PIM1PDE4BMAOBCISD1
SCHEMBL18102954 0.81 NAT1 (0.70) NAT1PIM1PTP4A3MYCMAX
SCHEMBL18103072 0.81 NAT1 (0.79) NAT1PIM1PTP4A3MYCMAX
SCHEMBL9573270 0.80 NAT1 (1.00) NAT1PIM1PDE4BMEN1ALDH1A1

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 8 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
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-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-20060264484-A1 Fc receptor modulating compounds and compositions THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2006-11-23 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 (3 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 NAT1 3115/4885PIM1 3764/4885PDE4B 1829/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B NAT1 3115/4885PIM1 3764/4885PDE4B 1829/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B NAT1 3116/4885PIM1 3443/4885PDE4B 1288/4885

“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.