SCHEMBL3017601

SCHEMBL3017601

C[Si](C)(C)CCOCn1cnc(Cl)c1C(=O)NCc1ccc(Cl)c(Oc2cc(Cl)cc(C3CC3)c2)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.33
PTGES O14684 1/20 0.32
CYP3A4 P08684 1/20 0.32
BRAF P15056 1/20 0.30
EPHX2 P34913 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
SCHEMBL3034418 0.91 CYP3A4 (0.37) DGAT1CYP3A4EPHX2
SCHEMBL3033460 0.89 DGAT1 (0.32) DGAT1PTGESCYP3A4BRAF
SCHEMBL3032971 0.88 CYP3A4 (0.32) DGAT1CYP3A4BRAF
SCHEMBL3027202 0.88 CYP3A4 (0.37) DGAT1PTGESCYP3A4
SCHEMBL3017395 0.88 LMNA (0.32) DGAT1PTGESCYP3A4EPHX2
SCHEMBL3033288 0.87 CYP3A4 (0.33) PTGESCYP3A4EPHX2
SCHEMBL3041066 0.86 CYP3A4 (0.32) PTGESCYP3A4EPHX2
SCHEMBL3031280 0.85 CYP3A4 (0.36) DGAT1CYP3A4
SCHEMBL3023476 0.85 CYP3A4 (0.30) PTGESCYP3A4
SCHEMBL3028197 0.83 CYP3A4 (0.35) CYP3A4

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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 (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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 DGAT1 454/4885PTGES 988/4885CYP3A4 169/4885

“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.