SCHEMBL725443

SCHEMBL725443

O=C(O)C1CCN(c2nc(N3CCC(C(=O)O)CC3)nc(N3CCC(C(=O)O)CC3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
HSD17B10 Q99714 3/20 0.71
USP2 O75604 1/20 0.71
HPGD P15428 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
CYP2C19 P33261 1/20 0.67
NEK2 P51955 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
PPARG P37231 1/20 0.50
ATM Q13315 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NOTUM Q6P988 8/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47

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
SCHEMBL725986 0.91 KDM4E (0.61) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL10055200 0.91 KDM4E (0.61) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL12644983 0.87 KDM4E (0.71) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5392066 0.85 KDM4E (0.55) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5844330 0.84 KDM4E (1.00) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL10055377 0.83 HSD17B10 (0.61) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL10078816 0.82 KDM4E (0.60) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL24712509 0.81 KDM4E (0.59) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL10055310 0.81 KDM4E (0.54) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL195842 0.80 KDM4E (1.00) KDM4EHSD17B10USP2HPGDNPSR1

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 13 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-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-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
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
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

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 KDM4E 2818/4885HSD17B10 1420/4885USP2 3418/4885

“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.