SCHEMBL350618

SCHEMBL350618

CC(C)C(=O)O[C@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
CASP3 P42574 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
FFAR1 O14842 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL351696 1.00 FNTA (0.39) FNTAFNTBCASP3MAPTGAA
SCHEMBL15967508 0.91 FNTA (0.39) FNTAFNTBCASP3MAPTGAA
SCHEMBL350365 0.91 FNTA (0.39) FNTAFNTBCASP3MAPTGAA
SCHEMBL15967510 0.91 FNTA (0.39) FNTAFNTBCASP3MAPTGAA
SCHEMBL349375 0.91 FNTA (0.39) FNTAFNTBCASP3MAPTGAA
Arbaclofen Placarbil SCHEMBL2472988 0.88 GABBR2 (0.47) FNTAFNTBMAPTGAAKMT2A
Arbaclofen Placarbil SCHEMBL351833 0.88 GABBR2 (0.47) FNTAFNTBMAPTGAAKMT2A
Arbaclofen Placarbil SCHEMBL349961 0.88 GABBR2 (0.47) FNTAFNTBMAPTGAAKMT2A
Arbaclofen Placarbil SCHEMBL638204 0.88 GABBR2 (0.47) FNTAFNTBMAPTGAAKMT2A
Arbaclofen Placarbil SCHEMBL3375708 0.88 GABBR2 (0.47) FNTAFNTBMAPTGAAKMT2A

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-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 US claimed
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 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-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS GABBR2, GABBR1, GABRB1 FNTA 3741/4885FNTB 1907/4885CASP3 2282/4885

“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.