SCHEMBL1815343

SCHEMBL1815343

COc1cccc(OC[C@H]2C[C@@H](C(=O)O)N(C(=O)O[C@H](C)OC(C)=O)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.42
POLB P06746 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
LMNA P02545 1/20 0.39
GRM2 Q14416 1/20 0.38
AGTR2 P50052 1/20 0.38
KDM4E B2RXH2 1/20 0.37
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
SCHEMBL1815689 1.00 FFAR1 (0.42) FFAR1POLBMTNR1AMTNR1BLMNA
SCHEMBL1816660 0.91 FFAR1 (0.42) FFAR1LMNAGRM2AGTR2KDM4E
SCHEMBL1818187 0.91 FFAR1 (0.42) FFAR1LMNAGRM2AGTR2KDM4E
SCHEMBL1816555 0.91 FFAR1 (0.41) FFAR1LMNAGRM2AGTR2KDM4E
SCHEMBL1816264 0.91 FFAR1 (0.41) FFAR1MTNR1AMTNR1BLMNAGRM2
SCHEMBL1816926 0.91 FFAR1 (0.41) FFAR1MTNR1AMTNR1BLMNAGRM2
SCHEMBL1816467 0.91 FFAR1 (0.41) FFAR1LMNAGRM2AGTR2KDM4E
SCHEMBL1817526 0.90 FFAR1 (0.39) FFAR1AGTR2
SCHEMBL1813824 0.90 FFAR1 (0.39) FFAR1AGTR2
SCHEMBL1815413 0.84 FFAR1 (0.41) FFAR1LMNAGRM2AGTR2KDM4E

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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 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 (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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 FFAR1 330/4885POLB 1724/4885MTNR1A 1068/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG FFAR1 393/4885POLB 1526/4885MTNR1A 1388/4885

“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.