SCHEMBL15734005

SCHEMBL15734005

CCOC(=O)N(N)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1203240 0.85 ALOX15 (0.50) ALOX15ALDH1A1CYP1A2CA12CA1
SCHEMBL1706932 0.85 HDAC6 (0.38) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL8806268 0.79 HDAC6 (0.41) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL3884537 0.79 HDAC6 (0.44) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL24737134 0.78 NFKB1 (0.45) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL10568938 0.78 ALOX15 (0.39) NFKB1NFKB2RELAALOX15ALDH1A1
SCHEMBL14336042 0.77 DGAT1 (0.41) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL11522989 0.76 ALOX15 (0.46) ALOX15ALDH1A1CYP1A2CA12CA1
SCHEMBL10558566 0.76 NFKB1 (0.44) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL5580137 0.76 AKT1 (0.39) NFKB1NFKB2RELAHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723723-B1 N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-01 EP disclosed
US-9282743-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-20140148339-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-29 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-20140148339-A1 CHEMICAL COMPOUNDS DDT, CYP1B1, CYP1A1 NFKB1 3899/4885NFKB2 4330/4885RELA 4633/4885

“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.