SCHEMBL3028997

SCHEMBL3028997

C[Si](C)(C)CCOCn1cnc(F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.36
F2RL1 P55085 1/20 0.34
KLKB1 P03952 1/20 0.34
NPC1 O15118 1/20 0.32
PKM P14618 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
F11 P03951 1/20 0.30
KMT2A Q03164 1/20 0.30
BRAF P15056 1/20 0.30
MAPT P10636 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
SCHEMBL3023087 0.84 DGAT1 (0.38) DGAT1F2RL1MAPT
SCHEMBL3636142 0.83 DGAT1 (0.38) DGAT1F2RL1KLKB1NPC1PKM
SCHEMBL3028008 0.83 DGAT1 (0.38) DGAT1KLKB1NPC1PKMGAA
SCHEMBL27284918 0.82 F2RL1 (0.34) DGAT1F2RL1KLKB1NPC1PKM
SCHEMBL10117742 0.80 PKM (0.38) DGAT1F2RL1KLKB1NPC1PKM
SCHEMBL4799731 0.79 PTGS2 (0.43) DGAT1NPC1PKMGAATSHR
SCHEMBL13560582 0.76 KLKB1 (0.37) DGAT1KLKB1NPC1PKMGAA
SCHEMBL25104539 0.76 DGAT1 (0.39) DGAT1F2RL1KLKB1NPC1KMT2A
SCHEMBL2148257 0.74 KLKB1 (0.35) DGAT1KLKB1NPC1
SCHEMBL10117725 0.74 ALDH1A1 (0.38) DGAT1NPC1TSHRBRD4KMT2A

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 454/4885F2RL1 3151/4885KLKB1 3221/4885

“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.