SCHEMBL21644807

SCHEMBL21644807

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSC(C)(C)C(NC(=O)O)C(=O)NCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ FAAH O00519 1/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALOX12 P18054 1/20 0.37
▸ EPHX2 P34913 2/20 0.35
▸ FFAR1 O14842 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ OXER1 Q8TDS5 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
SCHEMBL19328506 1.00 CNR1 (0.44) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL17790864 0.90 CNR1 (0.41) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL19640645 0.88 CNR1 (0.40) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL19640646 0.88 CNR1 (0.40) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL19656806 0.88 CNR1 (0.39) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL19343062 0.87 CNR1 (0.47) CNR1ALDH1A1FAAHCNR2MAPT
Methane SCHEMBL19640640 0.87 CNR1 (0.39) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL17793898 0.86 EPHX2 (0.49) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL17793982 0.86 CNR1 (0.46) CNR1ALDH1A1FAAHCNR2MAPT
SCHEMBL19328499 0.86 CNR1 (0.46) CNR1ALDH1A1FAAHCNR2MAPT

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-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. 2020-02-06 — — 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-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY ATG7, ATG4A, SLC27A1 CNR1 1147/4885ALDH1A1 2685/4885FAAH 193/4885

“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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