SCHEMBL621439

SCHEMBL621439

O=C(O)c1cc(Br)cc2c(CC3CCCS(O)(O)C3)c[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
IKBKB O14920 1/20 0.32
KDM5B Q9UGL1 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDK2 P24941 1/20 0.30
KDM5A P29375 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
SCHEMBL621126 0.93 SLC6A4 (0.34) SLC6A4IKBKBHTTSMN1; SMN2CDK2
SCHEMBL619228 0.90 IKBKB (0.39) SLC6A4IKBKB
SCHEMBL621438 0.89 IKBKB (0.40) SLC6A4IKBKBKDM5BHTTSMN1; SMN2
SCHEMBL621437 0.86 SLC6A4 (0.38) SLC6A4KDM5BHTTSMN1; SMN2CDK2
SCHEMBL621127 0.84 IKBKB (0.38) SLC6A4IKBKBHTTSMN1; SMN2CDK2
SCHEMBL621367 0.83 IKBKB (0.38) SLC6A4IKBKB
SCHEMBL621436 0.82 SLC6A4 (0.38) SLC6A4IKBKBKDM5BHTTSMN1; SMN2
SCHEMBL618891 0.80 IKBKB (0.48) IKBKB
SCHEMBL10211426 0.80 IKBKB (0.37) SLC6A4IKBKB
SCHEMBL619227 0.80 IKBKB (0.48) SLC6A4IKBKB

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 SLC6A4 3971/4885IKBKB 8/4885KDM5B 535/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA SLC6A4 3980/4885IKBKB 8/4885KDM5B 556/4885

“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.