SCHEMBL2226527

SCHEMBL2226527

CC(=O)N1CC(C)(C)c2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.56
XIAP P98170 9/20 0.42
BIRC2 Q13490 9/20 0.42
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AMPD2 Q01433 1/20 0.37
CNR2 P34972 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
SCHEMBL2225224 0.87 NOTUM (0.57) NOTUMXIAPBIRC2LMNAPKM
SCHEMBL13733355 0.85 NOTUM (0.55) NOTUMXIAPBIRC2LMNAPKM
SCHEMBL2357248 0.84 NOTUM (0.54) NOTUMXIAPBIRC2LMNAPKM
SCHEMBL27947018 0.82 NOTUM (0.51) NOTUMXIAPBIRC2LMNAPKM
SCHEMBL430124 0.78 NOTUM (0.64) NOTUMXIAPBIRC2LMNAKMT2A
SCHEMBL9687259 0.78 NOTUM (0.64) NOTUMXIAPBIRC2LMNAALDH1A1
SCHEMBL1035499 0.77 NOTUM (0.59) NOTUMXIAPBIRC2AMPD2CNR2
SCHEMBL17446878 0.77 NOTUM (0.62) NOTUMXIAPBIRC2AMPD2CNR2
SCHEMBL31481087 0.77 NOTUM (0.62) NOTUMXIAPBIRC2AMPD2CNR2
SCHEMBL31481108 0.77 NOTUM (0.62) NOTUMXIAPBIRC2AMPD2CNR2

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-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 NOTUM 2646/4885XIAP 871/4885BIRC2 2572/4885

“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.