SCHEMBL16231545

SCHEMBL16231545

CC(C)NC(CCCCNC(=O)CCC(=O)O)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ ALB P02768 3/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PRMT1 Q99873 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ NOD1 Q9Y239 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
SCHEMBL21913856 0.90 ALDH1A1 (0.43) FOLH1ALDH1A1ALBCASP2TSHR
SCHEMBL16409459 0.87 CASP2 (0.51) ALDH1A1ALBCASP2NAAANOD1
SCHEMBL14952664 0.87 ALDH1A1 (0.41) FOLH1ALDH1A1ALBCASP2LMNA
SCHEMBL25129545 0.86 ALDH1A1 (0.37) FOLH1ALDH1A1ALBCASP2LMNA
SCHEMBL16248536 0.86 NAMPT (0.40) ALDH1A1ALBCASP2LMNATSHR
SCHEMBL20729996 0.86 ALB (0.38) FOLH1ALDH1A1SIRT5ALBCASP2
SCHEMBL23944184 0.86 ALDH1A1 (0.40) FOLH1ALDH1A1ALBCASP2NAAA
SCHEMBL25132500 0.84 ALB (0.37) FOLH1ALDH1A1EPHX2ALBCASP2
SCHEMBL25132903 0.84 ALB (0.37) FOLH1ALDH1A1EPHX2ALBCASP2
SCHEMBL25132901 0.84 ALB (0.37) FOLH1ALDH1A1EPHX2ALBCASP2

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-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 (2 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 814/4885ALDH1A1 261/4885SIRT5 879/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A FOLH1 525/4885ALDH1A1 217/4885SIRT5 1132/4885

“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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