SCHEMBL16227576

SCHEMBL16227576

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.54
▸ NPBWR1 P48145 1/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ KISS1R Q969F8 1/20 0.48
▸ OPRK1 P41145 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ PSMB5 P28074 2/20 0.45
▸ MMP1 P03956 2/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ CDYL2 Q8N8U2 1/20 0.43

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
SCHEMBL16227501 0.94 NPY4R (0.55) NPY4RNPBWR1NPY5RNPY1RNPY2R
SCHEMBL14932619 0.94 NPY4R (0.55) NPY4RNPBWR1NPY5RNPY1RNPY2R
SCHEMBL14932618 0.91 NPY4R (0.51) NPY4RNPBWR1NPY5RNPY1RNPY2R
SCHEMBL16228013 0.82 MMP1 (0.52) MMP1MMP3MMP8MMP2
SCHEMBL16228011 0.82 MMP1 (0.52) MMP1MMP3MMP8MMP2
SCHEMBL16234096 0.78 HTRA2 (0.65) —
SCHEMBL14932681 0.75 MMP1 (0.54) PSMB5MMP1MMP3MMP8MMP2
SCHEMBL14932673 0.75 MMP3 (0.52) MMP1MMP3MMP8MMP2
SCHEMBL12294934 0.74 PSEN1 (0.51) NPY4RNPBWR1NPY5RNPY1RNPY2R
Hydrochloric Acid SCHEMBL16228016 0.74 MMP3 (0.51) MMP1MMP3MMP8MMP2

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 4 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-9856509-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2018-01-02 — — 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 NPY4R 3302/4885NPBWR1 2749/4885NPY5R 2978/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A NPY4R 3302/4885NPBWR1 2749/4885NPY5R 2978/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A NPY4R 3511/4885NPBWR1 2467/4885NPY5R 3462/4885

“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.

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