SCHEMBL18353032

SCHEMBL18353032

CCNC(=O)O[C@@H](COC(=O)/C=C/C(=O)OC[C@H](OC(=O)NCC)C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 4/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18354908 0.95 HCAR2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL18352684 0.83 SMN1; SMN2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL18353038 0.83 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2HCAR2ATM
SCHEMBL18353215 0.82 TSHR (0.34) HCAR2ATMTSHRALDH1A1MAPT
SCHEMBL18352689 0.79 TSHR (0.34) HCAR2ATMTSHR
SCHEMBL18355269 0.79 SMN1; SMN2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL18355352 0.79 HCAR2 (0.41) CHRNB2CHRNA4SMN1; SMN2HCAR2ATM
SCHEMBL18354906 0.78 HCAR2 (0.39) SMN1; SMN2HCAR2TSHRALDH1A1MAPT
SCHEMBL18094742 0.78 TSHR (0.50) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL18352526 0.78 MAPT (0.51) ALDH1A1MAPT

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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CHRNB2 2170/4885CHRNB4 2401/4885CHRNA3 2227/4885

“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.