SCHEMBL14645237

SCHEMBL14645237

CCOC(=O)NNC(=O)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
TGM2 P21980 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KEAP1 Q14145 3/20 0.55
NFE2L2 Q16236 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL2918702 0.84 GAA (0.64) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL18254066 0.84 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL8290406 0.83 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.83 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.83 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.83 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL11973884 0.82 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL21338348 0.82 LMNA (0.63) HTTTGM2HDAC3HDAC4HDAC1
SCHEMBL28969063 0.82 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL16692630 0.82 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729178-A1 TYROSINE LIGATION PROCESS Novartis AG (CH) 2014-05-14 EP disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 WO disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 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 (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-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL HTT 2984/4885TGM2 453/4885HDAC3 4850/4885

“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.