SCHEMBL622270

SCHEMBL622270

CCOC(=O)c1cc(Br)cc2c(C3CCS(O)(O)CC3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
GLA P06280 1/20 0.33
OPRK1 P41145 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL620358 0.97 HPGD (0.36) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL622269 0.93 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL620710 0.90 EED (0.34) OPRK1SCN9A
SCHEMBL620357 0.90 MEN1 (0.35) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL622408 0.88 ALDH1A1 (0.37) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL622323 0.88 ALDH1A1 (0.34) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL621966 0.88 ALDH1A1 (0.35) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL619329 0.87 ALDH1A1 (0.33) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL621266 0.86 SCN9A (0.32) OPRK1SCN9A
SCHEMBL618795 0.86 ALDH1A1 (0.34) HPGDALDH1A1MEN1KMT2ALMNA

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 HPGD 1850/4885ALDH1A1 3293/4885MEN1 3586/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA HPGD 1850/4885ALDH1A1 3303/4885MEN1 3624/4885

“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.