SCHEMBL12424727

SCHEMBL12424727

CCOC(=O)NCCCCC(NC(=O)CC)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ TGM2 P21980 2/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL277624 0.92 SIRT2 (0.38) ACESIRT2SIRT1HDAC4TGM2
SCHEMBL12692567 0.91 SIRT2 (0.41) SIRT2SIRT1HDAC4HDAC3HDAC1
SCHEMBL12213104 0.91 MEN1 (0.41) SIRT2SIRT1TGM2KMT2A
SCHEMBL13167106 0.90 ACE (0.36) ACESIRT2SIRT1HDAC4HDAC3
SCHEMBL13339221 0.89 SIRT2 (0.35) ACESIRT2SIRT1HDAC4HDAC3
SCHEMBL24064905 0.87 SIRT1 (0.36) SIRT2SIRT1TGM2KMT2ABRD4
SCHEMBL22357159 0.87 MEN1 (0.35) SIRT2SIRT1TGM2KMT2AFOLH1
SCHEMBL21202320 0.86 NPY4R (0.39) SIRT1TGM2KMT2A
SCHEMBL21284264 0.85 TGM2 (0.35) SIRT1TGM2KMT2A
SCHEMBL30804479 0.83 TAS1R3 (0.40) HDAC2KMT2APOLBL3MBTL1

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-20110171160-A1 POLYMER CONJUGATES OF KISS1 PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 — — 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-20110171160-A1 POLYMER CONJUGATES OF KISS1 PEPTIDES KISS1R, PROKR1, NGLY1 ACE 2877/4885SIRT2 1016/4885SIRT1 473/4885

“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.

Send feedback