SCHEMBL726171

SCHEMBL726171

CC(C)(C)OC(=O)NCC#Cc1c(OCCCS(=O)(=O)O)c(C#CCNC(=O)OC(C)(C)C)c(OCCCS(=O)(=O)O)c(C(=O)O)c1OCCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
TDP1 Q9NUW8 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A43 Q9HB55 1/20 0.32
METAP2 P50579 1/20 0.31
ACACB O00763 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
SCHEMBL724830 0.91 CA1 (0.40) PTPN11CA1CA2CA12CA9
SCHEMBL10077809 0.86 CA1 (0.41) PTPN11CA1CA2CA12CA9
SCHEMBL10078765 0.86 CA1 (0.38) PTPN11CA1CA2CA12CA9
SCHEMBL10077804 0.83 CA1 (0.36) PTPN11CA1CA2CA12CA9
SCHEMBL16280908 0.83 DDB1 (0.35) PTPN11CA1CA2CA12CA9
SCHEMBL10055482 0.83 CA1 (0.36) PTPN11CA1CA2CA12CA9
SCHEMBL16280909 0.82 PTPN11 (0.35) PTPN11CA1CA2CA12CA9
SCHEMBL10077354 0.80 CA1 (0.41) CA1CA2CA12CA9TDP1
SCHEMBL10080126 0.78 PLAU (0.32)
SCHEMBL10077810 0.77 DDB1 (0.33) PTPN11CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
WO-2012027625-A9 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-08-02 WO disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES POLM, RNGTT, POLR1G PTPN11 3349/4885CA1 4803/4885CA2 4370/4885

“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.