SCHEMBL4890112

SCHEMBL4890112

CC(C)(COC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.63
CHUK O15111 14/20 0.63
CYP2C9 P11712 1/20 0.61
CIT O14578 1/20 0.47
CDK9 P50750 5/20 0.43
CASP3 P42574 3/20 0.43
CASP7 P55210 3/20 0.43
CCNT1 O60563 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL3418145 0.87 IKBKB (0.66) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL13505174 0.86 IKBKB (0.74) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3413149 0.85 IKBKB (0.73) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3617126 0.82 IKBKB (0.68) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3415201 0.81 IKBKB (0.65) IKBKBCHUKCYP2C9CITCDK9
Trifluoroacetic Acid SCHEMBL3413145 0.79 IKBKB (0.85) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3418229 0.79 IKBKB (0.73) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3412911 0.78 IKBKB (1.00) IKBKBCHUKCYP2C9CITCDK9
Trifluoroacetic Acid SCHEMBL3415206 0.77 IKBKB (0.67) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL2989332 0.77 IKBKB (0.51) IKBKBCHUKCIT

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.