SCHEMBL15050672

SCHEMBL15050672

C[Si](C)(C)CCOCn1c(Cl)cc(Cl)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
F11 P03951 1/20 0.36
MAPT P10636 1/20 0.34
KLKB1 P03952 2/20 0.32
PLA2G2A P14555 3/20 0.32
CCR2 P41597 2/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL15051452 0.88 NPC1 (0.48) NPC1F11MAPTKLKB1DGAT1
SCHEMBL15050722 0.86 NPC1 (0.40) NPC1F11MAPTKLKB1DGAT1
SCHEMBL25254238 0.76 NPC1 (0.40) NPC1F11MAPTKLKB1DGAT1
SCHEMBL20597948 0.74 NPC1 (0.39) NPC1F11MAPTKLKB1DGAT1
SCHEMBL3111779 0.73 NPC1 (0.33) NPC1F11MAPTDGAT1
SCHEMBL3028008 0.72 DGAT1 (0.38) NPC1F11MAPTKLKB1DGAT1
SCHEMBL31332415 0.71 NPC1 (0.46) NPC1MAPTCCR2
SCHEMBL31332410 0.71 NPC1 (0.46) NPC1MAPTCCR2
SCHEMBL24896328 0.71 CCR2 (0.53) NPC1F11KLKB1CCR2
SCHEMBL30220549 0.71 CCR2 (0.53) NPC1F11KLKB1CCR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B NPC1 304/4885F11 4184/4885MAPT 4368/4885

“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.