Sugi Predict

Sugi Predict / Compounds / SCHEMBL622408

SCHEMBL622408

SCHEMBL622408

CCOC(=O)c1cc(Br)cc2c(C3CCSCC3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRA3 P34903 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
SCHEMBL618369 0.96 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL618871 0.90 EED (0.36) SCN9AOPRK1EEDRBBP4SUZ12
SCHEMBL621735 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622269 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622270 0.88 HPGD (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL620930 0.88 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10211393 0.88 SCN9A (0.35) KDM4ESCN9A
SCHEMBL2778625 0.88 LMNA (0.37) ALDH1A1LMNASMN1; SMN2GAAHPGD
SCHEMBL620808 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL622187 0.86 EED (0.34) MEN1KMT2AKDM4ESCN9AOPRK1

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 9 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-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-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-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — 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
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 ALDH1A1 3293/4885MEN1 3586/4885KMT2A 371/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA ALDH1A1 3303/4885MEN1 3624/4885KMT2A 398/4885

“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.