SCHEMBL620435

SCHEMBL620435

COC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)C(c4ccccc4)C3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
RORC P51449 4/20 0.35
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL620434 0.92 NR1H2 (0.36) NR1H2NR1H3RORCCYP2C9CYP2C19
SCHEMBL10211420 0.92 RORC (0.37) RORC
SCHEMBL621703 0.92 HPGD (0.36) RORC
SCHEMBL620709 0.84 EED (0.36) NR1H2NR1H3CYP2C9CYP2C19EED
SCHEMBL621704 0.84 MEN1 (0.36) RORC
SCHEMBL621326 0.82 EED (0.35) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL620710 0.82 EED (0.34) NR1H2NR1H3CYP2C9CYP2C19EED
SCHEMBL2782201 0.81 HRH2 (0.34) RORCCYP2C9CYP2C19
SCHEMBL621265 0.81 EED (0.34) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL621325 0.81 EED (0.33) EEDRBBP4SUZ12EZH2AEBP2

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 NR1H2 514/4885NR1H3 947/4885RORC 96/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA NR1H2 495/4885NR1H3 921/4885RORC 97/4885

“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.