SCHEMBL1882704

SCHEMBL1882704

NCCC(C[PH](=O)O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.46
GABBR1 Q9UBS5 6/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 2/20 0.46
THRB P10828 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL351660 0.86 GABBR2 (0.57) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL6338292 0.77 GABBR2 (0.49) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL1881772 0.77 GABBR2 (0.54) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL2372474 0.75 GABBR2 (0.75) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL21553602 0.73 GABBR2 (0.44) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL349306 0.69 GABBR2 (0.56) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL7646258 0.69 ADRB2 (0.39) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL350645 0.69 GABBR2 (0.38) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL21199026 0.69 AOC3 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL21199024 0.69 AOC3 (0.53) GABBR2GABBR1LMNACYP2C9CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US claimed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US claimed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO claimed
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US disclosed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO 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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS GABBR2 388/4885GABBR1 497/4885LMNA 3723/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS GABBR2 388/4885GABBR1 497/4885LMNA 3723/4885

“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.