SCHEMBL1301971

SCHEMBL1301971

CCc1nc(C#N)c(I)n1CCCCNS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.45
TDP1 Q9NUW8 2/20 0.33
PLK1 P53350 1/20 0.31

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
SCHEMBL1302453 0.85 TLR7 (0.50) TLR7TDP1
SCHEMBL1301657 0.77 TLR7 (0.54) TLR7TDP1
SCHEMBL4590672 0.68 ALDH1A1 (0.31) TLR7
SCHEMBL3969176 0.64 TLR7 (0.68) TLR7TDP1
SCHEMBL12409397 0.64 TLR7 (0.81) TLR7TDP1
SCHEMBL27720061 0.63 CA12 (0.48) TLR7
Cpg-52852 SCHEMBL29371102 0.62 TLR7 (1.00) TLR7
SCHEMBL12090531 0.60 POLB (0.52)
SCHEMBL7550764 0.59 NLRP3 (0.43) TDP1
SCHEMBL14739265 0.59 GRIA1 (0.52)

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-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 TLR7 4832/4885TDP1 3335/4885PLK1 1226/4885

“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.