SCHEMBL23912633

SCHEMBL23912633

CN(CCCCCCS)CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.61
▸ KCNH2 Q12809 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ FAAH O00519 2/20 0.44
▸ LSS P48449 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17080654 0.90 MGLL (0.76) MGLLKCNH2GAAFAAHLSS
SCHEMBL12916726 0.86 MGLL (0.76) MGLLGAAFAAHTRPV1BCL9
SCHEMBL18712660 0.80 MGLL (0.70) MGLLGAAFAAHTRPV1BCL9
SCHEMBL18291923 0.80 MGLL (0.51) MGLLKCNH2GAAPOLBHTT
SCHEMBL11668314 0.79 MGLL (0.86) MGLLGAAFAAHTRPV1BCL9
SCHEMBL14565135 0.79 MGLL (0.86) MGLLGAAFAAHTRPV1BCL9
SCHEMBL19412173 0.78 MGLL (0.84) MGLLGAAFAAHTRPV1BCL9
SCHEMBL18703462 0.78 MGLL (0.78) MGLLGAAFAAHTRPV1BCL9
SCHEMBL1400533 0.76 MGLL (1.00) MGLLBCL9CTNNB1
SCHEMBL16139295 0.76 MGLL (1.00) MGLLHTTFAAHTRPV1BCL9

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-11141489-B2 Conjugates comprising an GLP-1/Glucagon dual agonist, a linker and hyaluronic acid SANOFI (FR) 2021-10-12 — — 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-11141489-B2 Conjugates comprising an GLP-1/Glucagon dual agonist, a linker and hyaluronic acid GLP1R, GIPR, GCGR MGLL 413/4885KCNH2 2872/4885GAA 1025/4885

“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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