SCHEMBL16234093

SCHEMBL16234093

CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.41
▸ PSMB5 P28074 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CAPN1 P07384 3/20 0.37
▸ NPY4R P50391 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY2R P49146 3/20 0.37
▸ NPY5R Q15761 3/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ KISS1R Q969F8 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ FURIN P09958 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL16234102 0.91 CACNA1B (0.42) CACNA1BPSMB5CAPN1SIRT6SIRT1
SCHEMBL16234097 0.88 CACNA1B (0.41) CACNA1BCAPN1FURIN
SCHEMBL16234039 0.85 CACNA1B (0.41) CACNA1BMEN1KMT2ACAPN1NPY4R
SCHEMBL14932579 0.84 CACNA1B (0.38) CACNA1BCAPN1SIRT6SIRT1KISS1R
SCHEMBL14932630 0.84 NMT2 (0.44) CACNA1BSIRT6SIRT1OPRK1FURIN
SCHEMBL20235749 0.81 CACNA1B (0.41) CACNA1BPSMB5CAPN1SIRT6SIRT1
SCHEMBL14932589 0.81 PSMB5 (0.40) PSMB5MEN1KMT2ACAPN1NPY4R
SCHEMBL20235576 0.80 SIRT6 (0.39) CACNA1BPSMB5CAPN1SIRT6SIRT1
SCHEMBL16234089 0.80 FURIN (0.41) CAPN1SIRT6SIRT1OPRK1FURIN
SCHEMBL16231525 0.80 PSMB5 (0.39) PSMB5MEN1KMT2ACAPN1NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2020-04-21 — — US disclosed
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY BROAD INST INC (US) 2018-06-07 — — US disclosed
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 — — 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 (3 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-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY KDM1A, MAN2B1, KDM3A CACNA1B 3145/4885PSMB5 1017/4885MEN1 536/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A CACNA1B 3145/4885PSMB5 1017/4885MEN1 536/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A CACNA1B 3318/4885PSMB5 890/4885MEN1 666/4885

“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