SCHEMBL22033845

SCHEMBL22033845

CCC(=O)N[C@H]1[C@@H](OC(=O)/C=C/C(=O)O)O[C@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ TLR4 O00206 10/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ LY96 Q9Y6Y9 6/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ HCAR2 Q8TDS4 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
SCHEMBL22033844 0.96 LMNA (0.44) LMNATLR4KMT2ALY96POLB
SCHEMBL23872029 0.92 LMNA (0.42) LMNATLR4KMT2ALY96POLB
SCHEMBL23651844 0.87 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL23651830 0.87 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL24105787 0.87 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL17772563 0.87 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL22033880 0.86 CYP2D6 (0.39) LMNAKMT2AMAPTCYP2C9CA12
SCHEMBL22033953 0.86 CYP2D6 (0.39) LMNAKMT2AMAPTCYP2C9CA12
SCHEMBL22033978 0.86 CYP2D6 (0.39) LMNAKMT2AMAPTCYP2C9CA12
SCHEMBL22033950 0.86 CYP2D6 (0.39) LMNAKMT2AMAPTCYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3890721-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE Flagship Pioneering Innovations V, Inc. (US) 2021-10-13 — — EP disclosed
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2021-09-30 — — US disclosed
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 — — WO 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-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 LMNA 1443/4885TLR4 427/4885KMT2A 752/4885

“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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