SCHEMBL12235967

SCHEMBL12235967

CC(=O)[C@@H]1CN[C@@H](CCCNC(=N)N)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.40
SIRT1 Q96EB6 12/20 0.40
SIRT3 Q9NTG7 12/20 0.40
TPSAB1 Q15661 5/20 0.38
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
FURIN P09958 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL12235966 1.00 SIRT2 (0.40) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL10186972 1.00 SIRT2 (0.40) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL14394101 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3TPSAB1
SCHEMBL14385292 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL2735620 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL10186970 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL14385293 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL186302 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL2735621 0.89 TPSAB1 (0.38) SIRT2SIRT1SIRT3TPSAB1ITGB3
SCHEMBL13435351 0.83 SIRT2 (0.39) SIRT2SIRT1SIRT3TPSAB1

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-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 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-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 SIRT2 3293/4885SIRT1 3416/4885SIRT3 2986/4885

“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.