SCHEMBL10077809

SCHEMBL10077809

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)NCCCCCC(=O)O)c1OCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
PTPN11 Q06124 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL726171 0.86 PTPN11 (0.42) CA1CA2CA12CA9PTPN11
SCHEMBL724830 0.84 CA1 (0.40) CA1CA2CA12CA9PTPN11
SCHEMBL724990 0.84 MAPK1 (0.40) CA1CA2CA12CA9MAPK1
SCHEMBL10055326 0.81 ALDH1A1 (0.41) CA1CA2CA12CA9MAPK1
SCHEMBL10078765 0.79 CA1 (0.38) CA1CA2CA12CA9PTPN11
SCHEMBL10077804 0.77 CA1 (0.36) CA1CA2CA12CA9PTPN11
SCHEMBL16280908 0.77 DDB1 (0.35) CA1CA2CA12CA9PTPN11
SCHEMBL10055482 0.76 CA1 (0.36) CA1CA2CA12CA9PTPN11
SCHEMBL16280909 0.76 PTPN11 (0.35) CA1CA2CA12CA9PTPN11
SCHEMBL10077810 0.71 DDB1 (0.33) CA1CA2CA12CA9PTPN11

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 5 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-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-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

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 CA1 4803/4885CA2 4370/4885CA12 4156/4885

“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.