SCHEMBL17740140

SCHEMBL17740140

CCCCCNC(=O)CCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.46
NAAA Q02083 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
FAAH O00519 2/20 0.39
EPHX2 P34913 3/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL17739921 1.00 CASP2 (0.46) CASP2NAAAL3MBTL1HPGDFAAH
SCHEMBL19704124 0.91 HPGD (0.35) CASP2L3MBTL1HPGD
SCHEMBL17739922 0.91 HPGD (0.35) CASP2L3MBTL1HPGD
SCHEMBL19703938 0.90 CASP2 (0.42) CASP2NAAAL3MBTL1HPGDEPHX2
SCHEMBL17740143 0.90 CASP2 (0.42) CASP2NAAAL3MBTL1HPGDEPHX2
SCHEMBL17480080 0.88 CA12 (0.34) CASP2L3MBTL1HPGDEPHX2
SCHEMBL17740155 0.88 CASP2 (0.53) CASP2NAAAL3MBTL1HPGDFAAH
SCHEMBL17740212 0.86 L3MBTL1 (0.57) CASP2NAAAL3MBTL1HPGDFAAH
SCHEMBL19704337 0.86 TSHR (0.33) CASP2NAAAL3MBTL1
SCHEMBL19703734 0.86 TSHR (0.33) CASP2NAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT CASP2 2689/4885NAAA 1609/4885L3MBTL1 1981/4885

“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.