SCHEMBL10055299

SCHEMBL10055299

CCCOc1c(I)c(OCCCS(=O)(=O)O)cc(OCCCS(=O)(=O)O)c1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP4 P15090 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
MGLL Q99685 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL10078717 0.95 SLC2A1 (0.33) SLC2A1ALDH1A1POLBKMT2ANPSR1
SCHEMBL10055405 0.87 RAB9A (0.32) ALDH1A1RAB9AKDM4EMEN1POLB
SCHEMBL10055481 0.84 RAB9A (0.32) RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10055476 0.84 KMT2A (0.43) ALDH1A1RAB9AKDM4EMEN1POLB
SCHEMBL725109 0.82 MAPT (0.33) MAPT
SCHEMBL10078718 0.78 EGFR (0.31) MAPT
SCHEMBL724879 0.78 MAPT (0.38) ALDH1A1RAB9AKDM4EMEN1POLB
SCHEMBL16491074 0.74 PLA2G2A (0.43) ALDH1A1RAB9AKDM4EMEN1POLB
SCHEMBL16491036 0.73 KDM4E (0.43) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL19578975 0.73 ELANE (0.37) ALDH1A1RAB9AKDM4EMEN1POLB

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 4 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

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 SLC2A1 4856/4885ALDH1A1 1906/4885RAB9A 3249/4885

“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.