SCHEMBL10101216

SCHEMBL10101216

COCOCC1CCCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
IRAK1 P51617 1/20 0.30

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
SCHEMBL5991543 0.86 IRAK4 (0.41) IRAK4PDCD1LG2CD274IRAK1
SCHEMBL14285588 0.86 IRAK4 (0.41) IRAK4PDCD1LG2CD274IRAK1
SCHEMBL14309089 0.79 IRAK4 (0.40) IRAK4PDCD1LG2CD274IRAK1
SCHEMBL4378121 0.79 IRAK4 (0.35) IRAK4PDCD1LG2CD274
SCHEMBL28284360 0.76 IRAK4 (0.35) IRAK4PDCD1LG2CD274
SCHEMBL5991452 0.76 IRAK4 (0.35) IRAK4PDCD1LG2CD274
SCHEMBL22354600 0.75 IRAK4 (0.42) IRAK4PDCD1LG2CD274
SCHEMBL5994524 0.75 IRAK4 (0.42) IRAK4PDCD1LG2CD274
SCHEMBL5992949 0.75 IRAK4 (0.37) IRAK4PDCD1LG2CD274
SCHEMBL12409742 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 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 (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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST IRAK4 3423/4885PDCD1LG2 4299/4885CD274 2563/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 IRAK4 2929/4885PDCD1LG2 4430/4885CD274 3047/4885

“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.