SCHEMBL1712403

SCHEMBL1712403

CC(C)(C)OC(=O)N[C@@H]1Cn2c(=O)cnc3ccc(F)c1c32

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
JAK1 P23458 6/20 0.35
RORC P51449 1/20 0.35
JAK2 O60674 3/20 0.35
SCN9A Q15858 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAP4K4 O95819 2/20 0.34
HTR1A P08908 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CCRL2 O00421 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL1712577 0.92 KCNH2 (0.39) KCNH2GAAJAK1JAK2NFKB1
SCHEMBL1722713 0.83 GAA (0.38) KCNH2GAASCN9ANFKB1NFKB2
SCHEMBL2294822 0.81 HTR1A (0.41) GAAJAK1JAK2NFKB1NFKB2
SCHEMBL2288479 0.81 HTR1A (0.41) GAAJAK1JAK2NFKB1NFKB2
SCHEMBL1722743 0.81 RORC (0.35) GAARORCSCN9ANFKB1NFKB2
SCHEMBL1712022 0.75 JAK1 (0.38) GAAJAK1JAK2NFKB1NFKB2
SCHEMBL1711984 0.75 JAK1 (0.38) GAAJAK1JAK2NFKB1NFKB2
SCHEMBL1712667 0.75 KCNH2 (0.42) KCNH2JAK1JAK2SCN9ACCRL2
SCHEMBL27818287 0.73 KCNH2 (0.40) KCNH2KDM4EALDH1A1HTR1A
SCHEMBL2295781 0.73 KCNH2 (0.41) KCNH2SCN9AKDM4E

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-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO 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 (3 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 KCNH2 241/4885GAA 4509/4885JAK1 2707/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 KCNH2 206/4885GAA 4308/4885JAK1 2849/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 KCNH2 261/4885GAA 4356/4885JAK1 2736/4885

“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.