SCHEMBL18406876

SCHEMBL18406876

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ CA12 O43570 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
SCHEMBL18406865 1.00 HCAR2 (0.37) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18405645 0.95 HCAR2 (0.42) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18405662 0.95 HCAR2 (0.46) HCAR2ATMMAPTLMNAMDM2
SCHEMBL18405656 0.92 HCAR2 (0.43) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18406872 0.85 HCAR2 (0.34) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18406864 0.85 HCAR2 (0.34) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18405648 0.84 HCAR2 (0.42) HCAR2MAPTLMNAMDM2CA14
SCHEMBL18405653 0.84 HCAR2 (0.42) HCAR2TSHRMAPTLMNAMDM2
SCHEMBL18406867 0.84 TSHR (0.37) HCAR2ATMTSHRMAPTLMNA
SCHEMBL18406875 0.84 TSHR (0.37) HCAR2ATMTSHRMAPTLMNA

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 HCAR2 290/4885ATM 4406/4885TSHR 4688/4885

“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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