SCHEMBL20235802

SCHEMBL20235802

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.36
▸ EPHX2 P34913 3/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ GLP1R P43220 8/20 0.34
▸ GNPAT O15228 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ ALB P02768 2/20 0.32

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
SCHEMBL20235586 0.91 FAAH (0.36) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL16231542 0.90 FOLH1 (0.38) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL16231541 0.86 FOLH1 (0.40) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL20235728 0.83 F2 (0.36) FOLH1EPHX2NOD1GLP1RPTPN1
SCHEMBL20235702 0.83 FOLH1 (0.41) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL16231538 0.80 GLP1R (0.35) FOLH1EPHX2NOD1GLP1RPTPN1
SCHEMBL20235803 0.80 FOLH1 (0.38) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL20235724 0.80 FOLH1 (0.33) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL20235730 0.79 FOLH1 (0.44) FOLH1EPHX2NOD1GLP1RGNPAT
SCHEMBL25517376 0.78 GNPAT (0.43) FOLH1EPHX2NOD1GLP1RGNPAT

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 2 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

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 814/4885EPHX2 1831/4885NOD1 2430/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A FOLH1 814/4885EPHX2 1831/4885NOD1 2430/4885

“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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