SCHEMBL18405703

SCHEMBL18405703

CC(C)OC(=O)/C=C/C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EEF2K O00418 3/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MDM2 Q00987 1/20 0.39

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
SCHEMBL18406903 0.92 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1EEF2KPRKCG
SCHEMBL18406895 0.92 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1EEF2KPRKCG
SCHEMBL18405685 0.89 ALDH1A1 (0.48) ALDH1A1ATML3MBTL1EEF2KPRKCG
SCHEMBL18405702 0.88 MAPT (0.51) ALDH1A1ATML3MBTL1EEF2KPRKCG
SCHEMBL18405686 0.88 HCAR2 (0.44) ALDH1A1ATML3MBTL1HCAR2SMN1; SMN2
SCHEMBL18405676 0.88 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1HCAR2POLBSMN1; SMN2
SCHEMBL18405700 0.87 HCAR2 (0.43) ALDH1A1ATML3MBTL1HCAR2SMN1; SMN2
SCHEMBL18405718 0.87 HCAR2 (0.43) ALDH1A1ATML3MBTL1HCAR2SMN1; SMN2
SCHEMBL18405710 0.85 HCAR2 (0.41) ALDH1A1ATML3MBTL1HCAR2KMT2A
SCHEMBL18405691 0.85 HCAR2 (0.41) ALDH1A1ATML3MBTL1HCAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — 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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ALDH1A1 1949/4885ATM 4406/4885L3MBTL1 4164/4885

“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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