SCHEMBL916225

SCHEMBL916225

CCC(OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)OC(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 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
SCHEMBL19065277 0.81 GABBR2 (0.43) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL916226 0.78 SMN1; SMN2 (0.39) LMNASMN1; SMN2GAAHPGD
SCHEMBL637173 0.78 ATM (0.43) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL636817 0.77 SMN1; SMN2 (0.35) LMNADRD3SMN1; SMN2GAAHPGD
SCHEMBL917463 0.77 ATM (0.41) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL2231634 0.75 GABBR2 (0.51) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL916227 0.74 EPHX2 (0.36) KMT2ASMN1; SMN2
SCHEMBL637957 0.73 GABBR2 (0.42) ATMGABBR2GABBR1LMNACYP2C9
SCHEMBL636818 0.73 SMN1; SMN2 (0.37) LMNACYP2C9CYP3A4CYP2C19TSHR
SCHEMBL636819 0.73 EPHX2 (0.35) KMT2ASMN1; SMN2

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-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-27 US disclosed
US-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS XENOPORT, INC. 2009-09-17 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-20090234138-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS APEH, ABAT, GABARAPL1 ATM 3507/4885GABBR2 9/4885GABBR1 12/4885
US-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI ATM 3237/4885GABBR2 6/4885GABBR1 7/4885

“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.