SCHEMBL3033137

SCHEMBL3033137

C[Si](C)(C)CCOCn1cnc2[nH]c(C(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.35
▸ DAO P14920 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ XDH P47989 7/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CNOT7 Q9UIV1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PNP P00491 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL3025576 0.86 MMP13 (0.37) DGAT1NPC1MEN1KMT2AHSD17B10
SCHEMBL29924518 0.73 PTPN1 (0.34) DGAT1NPC1KLKB1MEN1KMT2A
SCHEMBL5488835 0.72 NPC1 (0.36) DGAT1NPC1KLKB1TSHRMEN1
SCHEMBL30962565 0.71 NPC1 (0.35) DGAT1NPC1KLKB1HSD17B10
SCHEMBL13560582 0.71 KLKB1 (0.37) DGAT1NPC1KLKB1TSHRBRD4
SCHEMBL3028008 0.70 DGAT1 (0.38) DGAT1NPC1KLKB1TSHRMAPT
SCHEMBL3636142 0.70 DGAT1 (0.38) DGAT1NPC1KLKB1TSHRBRD4
SCHEMBL3028997 0.70 DGAT1 (0.36) DGAT1NPC1KLKB1TSHRKMT2A
SCHEMBL10117742 0.70 PKM (0.38) DGAT1NPC1KLKB1TSHRHSD17B10
SCHEMBL24501448 0.70 USP2 (0.40) DGAT1NPC1KLKB1TSHRMEN1

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-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

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 454/4885DAO 637/4885NPC1 227/4885

“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.

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