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Sugi Predict / Compounds / SCHEMBL17092602

SCHEMBL17092602

SCHEMBL17092602

CCN(CC)C(=O)COC(=O)C=CC(=O)OCC(=O)N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 5/20 0.48
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18288640 1.00 HCAR2 (0.48) HCAR2ATMLMNAMAPTPOLB
SCHEMBL17092600 1.00 HCAR2 (0.48) HCAR2ATMLMNAMAPTPOLB
SCHEMBL29822765 0.96 HCAR2 (0.55) HCAR2ATMLMNAMAPTPOLB
SCHEMBL2118485 0.92 HCAR2 (0.62) HCAR2ATMLMNAMAPTPOLB
SCHEMBL19048687 0.92 HCAR2 (0.62) HCAR2ATMLMNAMAPTPOLB
Tepilamide Fumarate SCHEMBL15512161 0.92 HCAR2 (0.48) HCAR2ATMLMNAMAPTPOLB
Tepilamide Fumarate SCHEMBL2609690 0.92 HCAR2 (0.48) HCAR2ATMLMNAMAPTPOLB
SCHEMBL2118488 0.92 HCAR2 (0.62) HCAR2ATMLMNAMAPTPOLB
Tepilamide Fumarate SCHEMBL17092614 0.92 HCAR2 (0.48) HCAR2ATMLMNAMAPTPOLB
SCHEMBL17108951 0.91 HCAR2 (0.41) HCAR2ATMLMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114457-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2025-04-10 — — US claimed
US-20220241420-A1 Pharmaceutical Compositions of Fumaric Acid Esters ARBOR PHARMACEUTICALS, LLC 2022-08-04 — — US claimed
US-9999672-B2 Pharmaceutical compositions of fumaric acid esters XENOPORT, INC. (US) 2018-06-19 — — US claimed
US-20150265707-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-09-24 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150265707-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR2 1025/4885ATM 4340/4885LMNA 2691/4885
US-20250114457-A1 PHARMACEUTICAL COMPOSITIONS OF FUMARIC ACID ESTERS FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR2 1025/4885ATM 4340/4885LMNA 2691/4885
US-20220241420-A1 Pharmaceutical Compositions of Fumaric Acid Esters FAH, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR2 1025/4885ATM 4340/4885LMNA 2691/4885

“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.