SCHEMBL4891944

SCHEMBL4891944

O=C(OC1CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C(F)F)cc34)cc2)CC1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.56
CHUK O15111 18/20 0.56
CYP2C9 P11712 1/20 0.43
CIT O14578 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL3416170 0.88 IKBKB (0.65) IKBKBCHUK
Trifluoroacetic Acid SCHEMBL3417472 0.86 IKBKB (0.57) IKBKBCHUKCYP2C9CIT
Trifluoroacetic Acid SCHEMBL3416482 0.86 IKBKB (0.59) IKBKBCHUKCYP2C9CIT
Trifluoroacetic Acid SCHEMBL3415398 0.85 IKBKB (0.58) IKBKBCHUKCYP2C9CIT
SCHEMBL4892649 0.85 IKBKB (0.48) IKBKBCHUKCYP2C9CIT
SCHEMBL3413862 0.85 IKBKB (0.64) IKBKBCHUKCYP2C9CIT
SCHEMBL3412082 0.84 IKBKB (0.67) IKBKBCHUKCYP2C9CIT
SCHEMBL3411075 0.83 IKBKB (0.66) IKBKBCHUKCYP2C9CIT
Trifluoroacetic Acid SCHEMBL3617324 0.83 IKBKB (0.59) IKBKBCHUKCYP2C9CIT
SCHEMBL3417524 0.82 IKBKB (0.65) IKBKBCHUKCYP2C9CIT

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-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885CYP2C9 3454/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885CYP2C9 3454/4885

“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.