SCHEMBL1816660

SCHEMBL1816660

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
GRM2 Q14416 1/20 0.38
AGTR2 P50052 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1818187 1.00 FFAR1 (0.42) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1815343 0.91 FFAR1 (0.42) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1815689 0.91 FFAR1 (0.42) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1819080 0.91 FFAR1 (0.41) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1815413 0.91 FFAR1 (0.41) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1816467 0.90 FFAR1 (0.41) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1816555 0.90 FFAR1 (0.41) FFAR1KDM4ELMNAGRM2AGTR2
SCHEMBL1815651 0.90 FFAR1 (0.38) FFAR1AGTR2
SCHEMBL1818236 0.90 FFAR1 (0.38) FFAR1AGTR2
SCHEMBL1816264 0.84 FFAR1 (0.41) FFAR1KDM4ELMNAGRM2AGTR2

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 330/4885KDM4E 4301/4885LMNA 1437/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG FFAR1 393/4885KDM4E 4524/4885LMNA 959/4885

“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.