SCHEMBL619495

SCHEMBL619495

CC1(C)CC(c2c[nH]c3c(C(=O)O)cc(Br)cc23)CCS1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHUK O15111 5/20 0.35
BTK Q06187 2/20 0.33
CSF1R P07333 1/20 0.33
AURKA O14965 1/20 0.31
FLT3 P36888 1/20 0.31
CSNK1E P49674 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
SCHEMBL10211412 0.89 NR4A2 (0.37) IKBKBL3MBTL1ALDH1A1SMN1; SMN2CHUK
SCHEMBL618999 0.89 NR4A2 (0.37) IKBKBL3MBTL1ALDH1A1SMN1; SMN2CHUK
SCHEMBL621478 0.86 GABRA1 (0.41) IKBKBL3MBTL1ALDH1A1SMN1; SMN2CHUK
SCHEMBL619274 0.80 IKBKB (0.62) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL10211415 0.80 IKBKB (0.62) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL2783646 0.77 IKBKB (0.35) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618981 0.75 IKBKB (0.47) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL10211391 0.75 IKBKB (0.38) IKBKBALDH1A1CHUKBTKCSF1R
SCHEMBL618982 0.75 IKBKB (0.57) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL619453 0.73 IKBKB (0.59) IKBKBCHUKBTKCSF1RAURKA

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-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 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 (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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885L3MBTL1 4269/4885ALDH1A1 3293/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885L3MBTL1 4290/4885ALDH1A1 3303/4885

“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.