SCHEMBL18406901

SCHEMBL18406901

CCS(=O)(=O)N[C@@H](COC(=O)/C=C/C(=O)OC[C@H](NS(=O)(=O)CC)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ KCNA5 P22460 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ ATM Q13315 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ DUT P33316 1/20 0.37

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
SCHEMBL18406909 1.00 MAPT (0.47) MAPTLMNAMDM2MDM4KCNA5
SCHEMBL18405697 0.96 MAPT (0.44) MAPTLMNAMDM2MDM4KCNA5
SCHEMBL18405714 0.96 MAPT (0.53) MAPTLMNAMDM2MDM4KCNA5
SCHEMBL18405700 0.93 HCAR2 (0.43) MAPTLMNAMDM2MDM4KCNA5
SCHEMBL18411616 0.93 MAPT (0.42) MAPTLMNAMDM2MDM4KCNA5
SCHEMBL18406900 0.87 MAPT (0.45) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18406911 0.87 MAPT (0.45) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18406905 0.87 MAPT (0.43) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18406902 0.87 MAPT (0.43) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18406897 0.86 SLC1A3 (0.46) MAPTLMNAMDM2MDM4ALDH1A1

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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170022153-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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC MAPT 8/4885LMNA 4358/4885MDM2 363/4885

“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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