SCHEMBL3668449

SCHEMBL3668449

COc1ccc(-c2nc3c(s2)CNCC3)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
TLR8 Q9NR97 1/20 0.49
PDCD1 Q15116 8/20 0.48
CD274 Q9NZQ7 8/20 0.48
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC2 Q92769 1/20 0.39
AHR P35869 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL12490052 0.80 PDCD1 (0.51) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3669729 0.80 PDCD1 (0.52) TLR9TLR7TLR8PDCD1CD274
SCHEMBL17985041 0.79 TLR9 (0.46) TLR9TLR7TLR8PDCD1CD274
SCHEMBL15933628 0.78 CD274 (0.59) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3156931 0.78 PDCD1 (0.54) TLR9TLR7TLR8PDCD1CD274
Hydrochloric Acid SCHEMBL30785571 0.77 PDCD1 (0.53) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3671090 0.77 PDCD1 (0.46) TLR9TLR7TLR8PDCD1CD274
SCHEMBL15933630 0.76 PDCD1 (0.53) TLR9TLR7TLR8PDCD1CD274
SCHEMBL15933482 0.75 PDCD1 (0.54) TLR9TLR7TLR8PDCD1CD274
SCHEMBL15933483 0.75 PDCD1 (0.48) TLR9TLR7TLR8PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 TLR9 4728/4885TLR7 3431/4885TLR8 4686/4885

“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.