SCHEMBL5033942

SCHEMBL5033942

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PGR P06401 1/20 0.33
PFKFB1 P16118 1/20 0.30
PFKFB3 Q16875 1/20 0.30
RET P07949 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 0.94 HRH2 (0.33) HTTPGRPFKFB1PFKFB3RET
SCHEMBL5034411 0.93 HRH2 (0.32) PGRPFKFB1PFKFB3RET
SCHEMBL5035303 0.86 CYP1A2 (0.32)
SCHEMBL4588828 0.85 HRH2 (0.32) NPC1LMNAHTTRAB9A
SCHEMBL5034357 0.81 IKBKB (0.32) PGR
SCHEMBL5037990 0.80 IRAK4 (0.32)
SCHEMBL4590044 0.74 IKBKB (0.46) NPC1LMNAHTTRAB9APFKFB1
SCHEMBL14031214 0.69 KMT2A (0.35) PGR
SCHEMBL4590194 0.68 IKBKB (0.46)
SCHEMBL4595720 0.67 IKBKB (0.45)

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 NPC1 3856/4885LMNA 3169/4885HTT 4259/4885

“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.