SCHEMBL350646

SCHEMBL350646

[CH2]C[C@@H]([CH2])c1ccc(NC(=O)O[C@@H](C)OC(=O)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
UTS2R Q9UKP6 3/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL351084 0.79 FFAR1 (0.43) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL348939 0.79 FFAR1 (0.43) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL351083 0.78 CRHBP (0.47) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL348938 0.78 CRHBP (0.47) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL358839 0.75 HPGD (0.43) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL1891741 0.73 MAPT (0.42) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL1884906 0.73 MAPT (0.42) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL1884908 0.70 KMT2A (0.37) SMN1; SMN2HPGDL3MBTL1MAPTKMT2A
SCHEMBL351929 0.68 CASP3 (0.42) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL349358 0.68 CASP3 (0.42) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1

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 1 patent. 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

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 SMN1; SMN2 327/4885HPGD 2399/4885RAB9A 1179/4885

“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.