SCHEMBL17284191

SCHEMBL17284191

CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CCOCCOCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CRBN Q96SW2 1/20 0.32
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL18708671 0.96 CA12 (0.33) CA12CA1CA2CA9TDP1
SCHEMBL19451363 0.93 CRBN (0.34) CA12CA1CA2CA9TDP1
SCHEMBL29427447 0.90 TDP1 (0.32) CA12CA1CA2CA9TDP1
SCHEMBL31328769 0.90 CRBN (0.33) CA12CA1CA2CA9TDP1
SCHEMBL29427494 0.90 TDP1 (0.32) CA12CA1CA2CA9TDP1
SCHEMBL21071149 0.84 TDP1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL28656359 0.84 TDP1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL13759224 0.84 TDP1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL17739953 0.84 TDP1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL31395584 0.84 TDP1 (0.43) CA12CA1CA2CA9TDP1

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
US-10406198-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2019-09-10 US disclosed
US-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-06 US disclosed
WO-2015179734-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2015-11-26 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 (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-20170095572-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS PDIA6, PDIA3, KRTCAP2 CA12 462/4885CA1 278/4885CA2 1995/4885
US-10406198-B2 Methods for making conjugates from disulfide-containing proteins PDIA6, PDIA3, KRTCAP2 CA12 462/4885CA1 278/4885CA2 1995/4885

“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.