SCHEMBL20131935

SCHEMBL20131935

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ NAALAD2 Q9Y3Q0 2/20 0.33
▸ RIMKLA Q8IXN7 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ BMP1 P13497 1/20 0.32
▸ MME P08473 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ ENPEP Q07075 5/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ GSTK1 Q9Y2Q3 1/20 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
SCHEMBL20131933 0.81 MMP1 (0.36) FOLH1GLO1NAALAD2RIMKLAKEAP1
SCHEMBL21074906 0.76 PSMB5 (0.46) FOLH1NAALAD2RIMKLABMP1
SCHEMBL25129089 0.76 FOLH1 (0.38) FOLH1NAALAD2RIMKLABMP1
SCHEMBL21305826 0.71 MMP1 (0.36) FOLH1GLO1NAALAD2RIMKLAKEAP1
SCHEMBL23685503 0.70 TERT (0.45) GLO1MMEACECPA1ACE2
SCHEMBL25448154 0.70 GLO1 (0.40) GLO1KEAP1BMP1PTGS1GSTK1
SCHEMBL14113357 0.69 LMNA (0.42) FOLH1NAALAD2RIMKLA
SCHEMBL24622679 0.69 FOLH1 (0.35) FOLH1NAALAD2RIMKLAKEAP1BMP1
SCHEMBL19681930 0.69 BMP1 (0.39) FOLH1GLO1NAALAD2RIMKLAKEAP1
SCHEMBL27323792 0.69 MMP1 (0.37) GLO1KEAP1BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — 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 (1 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R FOLH1 1753/4885GLO1 1242/4885NAALAD2 2159/4885

“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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