SCHEMBL14820488

SCHEMBL14820488

COC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
MAPT P10636 3/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CAPN1 P07384 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
SCHEMBL5024804 0.96 MEN1 (0.55) TDP1MEN1KMT2AATMGAA
SCHEMBL30186579 0.91 MEN1 (0.60) TDP1MEN1KMT2AATMGAA
SCHEMBL16504664 0.91 CTSS (0.53) TDP1MEN1KMT2AATMGAA
SCHEMBL16505181 0.91 CTSS (0.53) TDP1MEN1KMT2AATMGAA
SCHEMBL19975659 0.91 TDP1 (0.50) TDP1MEN1KMT2AATMGAA
SCHEMBL16505183 0.91 CTSS (0.53) TDP1MEN1KMT2AATMGAA
SCHEMBL16217782 0.91 TDP1 (0.50) TDP1MEN1KMT2AATMGAA
SCHEMBL16504665 0.91 CTSS (0.53) TDP1MEN1KMT2AATMGAA
SCHEMBL16505182 0.91 CTSS (0.53) TDP1MEN1KMT2AATMGAA
SCHEMBL25550092 0.90 TDP1 (0.47) TDP1MEN1KMT2AATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078671-A1 INCORPORATION OF TWO DIFFERENT NONCANONICAL AMINO ACIDS INTO A SINGLE PROTEIN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-28 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 (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-20130078671-A1 INCORPORATION OF TWO DIFFERENT NONCANONICAL AMINO ACIDS INTO A SINGLE PROTEIN AARS1, NSUN3, NPEPPS TDP1 1179/4885MEN1 3942/4885KMT2A 1987/4885

“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.