SCHEMBL16231541

SCHEMBL16231541

CC(C)NCC(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.40
▸ GNPAT O15228 1/20 0.38
▸ EPHX2 P34913 2/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALB P02768 2/20 0.35
▸ GLP1R P43220 8/20 0.35
▸ SIRT5 Q9NXA8 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
SCHEMBL16231542 0.96 FOLH1 (0.38) FOLH1GNPATEPHX2NOD1ALDH1A1
SCHEMBL20235702 0.89 FOLH1 (0.41) FOLH1GNPATEPHX2NOD1ALDH1A1
SCHEMBL20235700 0.86 FOLH1 (0.40) FOLH1GNPATEPHX2NOD1ALDH1A1
SCHEMBL20235802 0.86 FOLH1 (0.36) FOLH1GNPATEPHX2NOD1ALB
SCHEMBL16231520 0.84 FOLH1 (0.44) FOLH1ALBSIRT5
SCHEMBL20235803 0.83 FOLH1 (0.38) FOLH1GNPATEPHX2NOD1ALDH1A1
SCHEMBL20235724 0.83 FOLH1 (0.33) FOLH1GNPATEPHX2NOD1ALDH1A1
SCHEMBL25517376 0.83 GNPAT (0.43) FOLH1GNPATEPHX2NOD1GLP1R
SCHEMBL25129549 0.83 NOD1 (0.39) FOLH1EPHX2NOD1ALDH1A1ALB
SCHEMBL16231545 0.83 FOLH1 (0.42) FOLH1GNPATEPHX2NOD1ALDH1A1

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 5 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-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 FOLH1 814/4885GNPAT 2272/4885EPHX2 1831/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A FOLH1 814/4885GNPAT 2272/4885EPHX2 1831/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A FOLH1 525/4885GNPAT 2233/4885EPHX2 1268/4885

“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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