SCHEMBL587833

SCHEMBL587833

CC(C)(C)OC(=O)C(N)(CCCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.36
FDPS P14324 3/20 0.36
DGAT1 O75907 1/20 0.35
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SMPD1 P17405 2/20 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
SCHEMBL9196272 1.00 PAOX (0.36) PAOXFDPSDGAT1CPB2MEN1
SCHEMBL20496960 1.00 PAOX (0.36) PAOXFDPSDGAT1CPB2MEN1
SCHEMBL7802855 0.98 DGAT1 (0.36) PAOXFDPSDGAT1CPB2MEN1
SCHEMBL3294151 0.92 DGAT1 (0.38) PAOXFDPSDGAT1LMNATDP1
SCHEMBL19065775 0.91 DGAT1 (0.44) PAOXFDPSDGAT1TDP1
SCHEMBL7209803 0.91 PAOX (0.42) PAOXMEN1LMNAALOX15RECQL
SCHEMBL7203559 0.91 PAOX (0.42) PAOXMEN1LMNAALOX15RECQL
SCHEMBL7204574 0.91 PAOX (0.42) PAOXMEN1LMNAALOX15RECQL
SCHEMBL7205258 0.91 PAOX (0.42) PAOXMEN1LMNAALOX15RECQL
SCHEMBL4617700 0.89 ODC1 (0.37) PAOXFDPSDGAT1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3192529-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2020-03-25 EP disclosed
EP-3485912-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2019-05-22 EP disclosed
EP-3192529-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2017-07-19 EP disclosed
EP-2416804-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2017-03-01 EP disclosed
US-20160089450-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-03-31 US disclosed
US-9233173-B2 Amatoxin-armed therapeutic cell surface binding components designed for tumour therapy DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-01-12 US disclosed
US-20120100161-A1 Amatoxin-Armed Therapeutic Cell Surface Binding Components Designed for Tumour Therapy DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2012-04-26 US disclosed
EP-2416804-A2 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2012-02-15 EP disclosed
WO-2010115629-A2 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-10-14 WO disclosed
EP-0314042-A2 Novel copolymers and superoxide dismutase modified with said copolymers KURARAY CO., LTD. (JP) 1989-05-03 EP 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 (2 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-20120100161-A1 Amatoxin-Armed Therapeutic Cell Surface Binding Components Designed for Tumour Therapy ANTXR2, TNFSF10, ANXA5 PAOX 3762/4885FDPS 3781/4885DGAT1 2256/4885
US-20160089450-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY ANTXR2, TNFSF10, ANXA5 PAOX 3762/4885FDPS 3781/4885DGAT1 2256/4885

“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.