SCHEMBL16630759

SCHEMBL16630759

NCCOCCOCNC(=O)c1cccc(NC(=O)OC2CCN(C(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.78
CHEK2 O96017 6/20 0.48
ACACB O00763 1/20 0.43
MGLL Q99685 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SCD O00767 1/20 0.40
LMNA P02545 1/20 0.40
DGAT1 O75907 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
COMT P21964 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL16630761 0.95 ALB (0.86) ALBCHEK2ACACBMGLLHDAC6
SCHEMBL20707604 0.93 ALB (0.70) ALBCHEK2ACACBMGLLLMNA
SCHEMBL16630755 0.88 ALB (1.00) ALBCHEK2SCDLMNAMMP2
SCHEMBL16620020 0.85 ALB (0.61) ALBCHEK2ACACBMGLLHDAC6
SCHEMBL20707683 0.85 ALB (0.66) ALBCHEK2ACACBMGLLLMNA
SCHEMBL20707605 0.81 ALB (0.59) ALBMGLL
SCHEMBL16619144 0.79 ALB (0.61) ALBCHEK2ACACBMGLLHDAC6
SCHEMBL16619540 0.78 ALB (0.71) ALBCHEK2LMNAMMP2MMP9
SCHEMBL16619938 0.77 ALB (0.58) ALBCHEK2MGLLLMNA
SCHEMBL16619475 0.75 HDAC6 (0.58) ALBCHEK2HDAC6HDAC3HDAC1

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-9938243-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-9809558-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-07 US disclosed
US-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-08-04 US disclosed
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 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-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT ALB, HDGF, VEGFA ALB 1/4885CHEK2 4260/4885ACACB 834/4885

“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.