SCHEMBL5034411

SCHEMBL5034411

CCS(=O)(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3c(C#N)cc(Oc4ccc(F)cc4)cc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.32
SCN9A Q15858 2/20 0.32
PGR P06401 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
DGAT1 O75907 1/20 0.32
RET P07949 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PFKFB1 P16118 1/20 0.30
PFKFB3 Q16875 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A4 P31645 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
SCHEMBL5035296 0.93 HRH2 (0.33) HRH2PGRRETPFKFB1PFKFB3
SCHEMBL5034357 0.80 IKBKB (0.32) HRH2PGRDGAT1
SCHEMBL5037990 0.79 IRAK4 (0.32)
SCHEMBL4595720 0.75 IKBKB (0.45) DRD2SLC6A4
SCHEMBL14031214 0.68 KMT2A (0.35) HRH2PGR
SCHEMBL4590044 0.67 IKBKB (0.46) PFKFB1PFKFB3
SCHEMBL4590194 0.67 IKBKB (0.46) DRD2SLC6A4
SCHEMBL4589503 0.62 IKBKB (0.65)
SCHEMBL31215522 0.62 DGAT1 (0.31) DGAT1
SCHEMBL31215809 0.62 DGAT1 (0.31) DGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 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 (1 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA HRH2 270/4885SCN9A 4209/4885PGR 3610/4885

“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.