SCHEMBL619983

SCHEMBL619983

CCOC(=O)c1cc(Br)cc2c(C3CCCS(O)(O)C3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.41
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
CLEC4M Q9H2X3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 3/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHUK O15111 2/20 0.33
CSF1R P07333 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL621311 0.94 GABRA1 (0.40) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL619984 0.90 IKBKB (0.52) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL621310 0.86 IKBKB (0.50) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL618891 0.84 IKBKB (0.48) IKBKBKDM4EMAPTCHUKCSF1R
SCHEMBL621572 0.83 GABRA1 (0.39) GABRA1GABRB1GABRA3GABRB2CLEC4M
SCHEMBL621077 0.83 IKBKB (0.57) IKBKBKDM4EMAPTALDH1A1CHUK
SCHEMBL619014 0.81 GABRA1 (0.40) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL621978 0.81 GABRA1 (0.40) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL619930 0.81 GABRA1 (0.41) IKBKBGABRA1GABRB1GABRA3GABRB2
SCHEMBL621124 0.81 GABRA1 (0.42) IKBKBGABRA1GABRB1GABRA3GABRB2

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 IKBKB 8/4885GABRA1 3643/4885GABRB1 3533/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885GABRA1 3653/4885GABRB1 3536/4885

“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.