SCHEMBL621266

SCHEMBL621266

COC(=O)c1cc(Br)cc2c(C3CCCS(O)(O)CC3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PRPS1 P60891 2/20 0.31
OPRK1 P41145 3/20 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
SCHEMBL620710 0.96 EED (0.34) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL621265 0.91 EED (0.34) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL621325 0.91 EED (0.33) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL620358 0.91 HPGD (0.36) OPRK1
SCHEMBL620709 0.89 EED (0.36) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL2781288 0.88 OPRK1 (0.32) PRPS1OPRK1
SCHEMBL622270 0.86 HPGD (0.38) SCN9AOPRK1
SCHEMBL621326 0.85 EED (0.35) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL622187 0.85 EED (0.34) SCN9AEEDRBBP4SUZ12EZH2
SCHEMBL618871 0.84 EED (0.36) SCN9AEEDRBBP4SUZ12EZH2

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 4 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

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 SCN9A 4319/4885EED 4157/4885RBBP4 1244/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA SCN9A 4325/4885EED 4146/4885RBBP4 1261/4885

“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.