SCHEMBL1622845

SCHEMBL1622845

CC(C)(C)[Si](C)(C)Oc1ccc2[nH]c(B(O)O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
AXL P30530 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
FLT3 P36888 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PREP P48147 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 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
SCHEMBL29952094 0.89 CA12 (0.45) CA12CA1CA9PDGFRBPDGFRA
SCHEMBL1621740 0.89 CA12 (0.45) CA12CA1CA9PDGFRBPDGFRA
SCHEMBL539219 0.77 AXL (0.59) AXLPDGFRBPDGFRAFLT3KDM4E
SCHEMBL1274214 0.75 CA12 (0.49) CA12CA1CA9POLBGAA
SCHEMBL29954502 0.75 CA1 (0.52) CA12CA1CA9PREPCA2
SCHEMBL932807 0.75 CA1 (0.52) CA12CA1CA9PREPCA2
SCHEMBL31207819 0.75 XDH (0.60) CA12CA1CA9PDGFRBPDGFRA
SCHEMBL32667657 0.75 XDH (0.60) CA12CA1CA9PDGFRBPDGFRA
SCHEMBL19783085 0.73 CA12 (0.58) CA12CA1CA9FLT3KDM4E
SCHEMBL7127684 0.73 CA12 (0.57) CA12CA1CA9PREPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 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 (2 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 CA12 4741/4885CA1 4831/4885CA9 4843/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 CA12 4568/4885CA1 4796/4885CA9 4791/4885

“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.