SCHEMBL19656806

SCHEMBL19656806

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSC(C)(C)[C@H](NC(=O)CC(O)CN(C)C)C(=O)NC[C@@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CNR2 P34972 3/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL19656670 0.91 CNR1 (0.40) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19640646 0.90 CNR1 (0.40) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19640645 0.90 CNR1 (0.40) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL21644807 0.88 CNR1 (0.44) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19328506 0.88 CNR1 (0.44) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19640637 0.85 CNR1 (0.38) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19640643 0.85 CNR1 (0.38) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL17790864 0.85 CNR1 (0.41) CNR1ALDH1A1CNR2ALOX12FAAH
Methane SCHEMBL19640640 0.83 CNR1 (0.39) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19343062 0.82 CNR1 (0.47) CNR1ALDH1A1CNR2ALOX12FAAH

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CNR1 1037/4885ALDH1A1 1220/4885CNR2 783/4885

“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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