SCHEMBL20360657

SCHEMBL20360657

CC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL7207224 0.92 TDP1 (0.69) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL16129111 0.91 TDP1 (0.71) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL25736657 0.91 TDP1 (0.71) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL19460978 0.91 TDP1 (0.71) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL22521163 0.91 TDP1 (0.71) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL2675254 0.89 TDP1 (0.68) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL23616304 0.86 TDP1 (0.61) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL5267898 0.86 TDP1 (0.61) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL20542889 0.86 TDP1 (0.61) TDP1CYP3A4MAOAMAOBCA1
SCHEMBL14086303 0.86 MAOA (0.66) TDP1CYP3A4MAOAMAOBCA1

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-10675359-B2 Enzymatic conjugation of antibodies INNATE PHARMA (FR) 2020-06-09 US disclosed
US-20180193476-A1 ENZYMATIC CONJUGATION OF ANTIBODIES ARARIS BIOTECH LTD (CH) 2018-07-12 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 (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-10675359-B2 Enzymatic conjugation of antibodies DNPEP, MPO, FCGR3B TDP1 1163/4885CYP3A4 306/4885MAOA 40/4885
US-20180193476-A1 ENZYMATIC CONJUGATION OF ANTIBODIES DNPEP, MPO, FCGR3B TDP1 1163/4885CYP3A4 306/4885MAOA 40/4885

“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.