SCHEMBL2152117

SCHEMBL2152117

O=C(O)CCCCCCCCCCCCCCC(=O)NCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.41
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 1/20 0.40
PRMT1 Q99873 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.38
ADRA1A P35348 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL21117960 0.93 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL21141592 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL20999873 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTEPHX2ALDH1A1
SCHEMBL26382038 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTEPHX2ALDH1A1
SCHEMBL17168743 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTEPHX2ALDH1A1
SCHEMBL17767812 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTEPHX2ALDH1A1
SCHEMBL17767809 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTEPHX2ALDH1A1
SCHEMBL6048384 0.88 FAAH (0.49) SMN1; SMN2HPGDHTTKDM4EEPHX2
SCHEMBL6048382 0.88 FAAH (0.49) SMN1; SMN2HPGDHTTKDM4EEPHX2
SCHEMBL6048378 0.88 FAAH (0.49) SMN1; SMN2HPGDHTTKDM4EEPHX2

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
EP-2340049-B1 METHOD OF ACYLATING A PEPTIDE OR PROTEIN NOVO NORDISK AS (DK) 2015-11-11 EP disclosed
US-8791236-B2 Method of acylating a peptide or protein NOVO NORDISK A/S (DK) 2014-07-29 US disclosed
US-20140142280-A1 Method of Acylating a Peptide or Protein NOVO NORDISK A/S (DK) 2014-05-22 US disclosed
US-8637647-B2 Method of acylating a peptide or protein NOVO NORDISK A/S (DK) 2014-01-28 US disclosed
US-20110213131-A1 Method of Acylating a Peptide or Protein NOVO NORDISK A/S (DK) 2011-09-01 US disclosed
EP-2340049-A1 METHOD OF ACYLATING A PEPTIDE OR PROTEIN Novo Nordisk A/S (DK) 2011-07-06 EP disclosed
WO-2010029159-A1 METHOD OF ACYLATING A PEPTIDE OR PROTEIN NOVO NORDISK A/S (DK) 2010-03-18 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-20110213131-A1 Method of Acylating a Peptide or Protein DNPEP, PTMA, ANPEP SMN1; SMN2 3837/4885HPGD 2211/4885HTT 1315/4885
US-20140142280-A1 Method of Acylating a Peptide or Protein DNPEP, PTMA, ANPEP SMN1; SMN2 3957/4885HPGD 2498/4885HTT 1299/4885

“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.