SCHEMBL17483577

SCHEMBL17483577

CC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CYP3A4 P08684 1/20 0.52
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PAOX Q6QHF9 1/20 0.44
ADRA1A P35348 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL3209829 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL7911588 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL16671924 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL19243362 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL3219136 0.98 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL5312822 0.93 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL5162656 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL134329 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL137629 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL343629 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845283-B2 Methods of producing cancer targeting compounds INSPYR THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9822064-B2 Methods of producing cancer treating compounds INSPYR THERAPEUTICS, INC. (US) 2017-11-21 US disclosed
US-20160347730-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-12-01 US disclosed
US-20160347706-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-12-01 US disclosed
US-9446141-B2 Methods of producing cancer compounds GENSPERA, INC. (US) 2016-09-20 US disclosed
US-20160030589-A1 Methods of Producing Cancer Compounds GENSPERA, INC. (US) 2016-02-04 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 (3 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-20160347706-A1 Methods of Producing Cancer Compounds HCCS, MYC, SDHA TDP1 2914/4885MAOA 1403/4885MAOB 962/4885
US-20160347730-A1 Methods of Producing Cancer Compounds HCCS, MYC, SDHA TDP1 2914/4885MAOA 1403/4885MAOB 962/4885
US-20160030589-A1 Methods of Producing Cancer Compounds NQO1, CYP21A2, CYP11B2 TDP1 2132/4885MAOA 895/4885MAOB 464/4885

“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.