SCHEMBL18364293

SCHEMBL18364293

CCOC(=O)/C=C/C(=O)OC[C@H](C)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.48
▸ MTNR1A P48039 6/20 0.45
▸ MTNR1B P49286 6/20 0.45
▸ MAPT P10636 8/20 0.44
▸ LMNA P02545 5/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 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
SCHEMBL18406345 1.00 HCAR2 (0.48) HCAR2MTNR1AMTNR1BMAPTLMNA
SCHEMBL18364201 1.00 HCAR2 (0.48) HCAR2MTNR1AMTNR1BMAPTLMNA
SCHEMBL18412225 0.93 MTNR1A (0.50) HCAR2MTNR1AMTNR1BMAPTLMNA
SCHEMBL18412200 0.93 MTNR1A (0.50) HCAR2MTNR1AMTNR1BMAPTLMNA
SCHEMBL18364237 0.88 HCAR2 (0.46) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18364279 0.88 HCAR2 (0.46) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18364241 0.88 HCAR2 (0.46) HCAR2MTNR1AMTNR1BACACBACACA
SCHEMBL18355113 0.86 HCAR2 (0.48) HCAR2MAPTLMNAMDM2MDM4
SCHEMBL18354887 0.86 HCAR2 (0.48) HCAR2MAPTLMNAMDM2MDM4
SCHEMBL18364749 0.85 MTNR1A (0.44) HCAR2MTNR1AMTNR1BMAPTLMNA

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
US-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 — — 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 (2 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-20170022149-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885MTNR1A 3360/4885MTNR1B 2855/4885
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885MTNR1A 3360/4885MTNR1B 2855/4885

“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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