SCHEMBL5035303

SCHEMBL5035303

CCN(CC)c1cccc(Oc2cc(C#N)c3c(c2)c(C2CCN(S(=O)(=O)CC)CC2)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
DGAT1 O75907 1/20 0.31
GFER P55789 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
SCHEMBL5034411 0.87 HRH2 (0.32) DGAT1
SCHEMBL5033942 0.86 NPC1 (0.36)
SCHEMBL5035296 0.86 HRH2 (0.33) CYP2D6
SCHEMBL5034357 0.83 IKBKB (0.32) CYP2D6DGAT1GFER
SCHEMBL4588828 0.81 HRH2 (0.32)
SCHEMBL5034346 0.77 IKBKB (0.44) CYP1A2CYP3A4CYP2D6CYP2C19GFER
SCHEMBL5037990 0.76 IRAK4 (0.32)
SCHEMBL14031214 0.71 KMT2A (0.35) CYP1A2CYP3A4CYP2D6CYP2C19GFER
SCHEMBL4590382 0.66 IKBKB (0.61) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4595720 0.62 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 CYP1A2 185/4885CYP3A4 2011/4885CYP2D6 2188/4885

“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.