SCHEMBL349375

SCHEMBL349375

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 2/20 0.36
CASP3 P42574 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KLK7 P49862 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL15967510 1.00 FNTA (0.39) FNTAFNTBGAAMAPTFFAR1
SCHEMBL15967508 1.00 FNTA (0.39) FNTAFNTBGAAMAPTFFAR1
SCHEMBL350365 1.00 FNTA (0.39) FNTAFNTBGAAMAPTFFAR1
SCHEMBL350618 0.91 FNTA (0.39) FNTAFNTBGAAMAPTFFAR1
SCHEMBL351696 0.91 FNTA (0.39) FNTAFNTBGAAMAPTFFAR1
SCHEMBL351537 0.88 GABBR2 (0.47) FNTAFNTBGAAMAPTLMNA
SCHEMBL2230566 0.88 GABBR2 (0.47) FNTAFNTBGAAMAPTLMNA
SCHEMBL351148 0.88 GABBR2 (0.47) FNTAFNTBGAAMAPTLMNA
SCHEMBL15984570 0.88 HTT (0.37) MAPTLMNAKDM4EALDH1A1POLB
Arbaclofen Placarbil SCHEMBL2472988 0.79 GABBR2 (0.47) FNTAFNTBGAAMAPTLMNA

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 1907/4885GAA 841/4885

“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.