SCHEMBL1884728

SCHEMBL1884728

[CH2]CC(NC(=O)OC(C)OC(=O)CCC)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
UTS2R Q9UKP6 7/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
COMT P21964 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
SCHEMBL2231578 0.86 UTS2R (0.39) KMT2AUTS2R
SCHEMBL637840 0.84 UTS2R (0.36) UTS2R
SCHEMBL1884908 0.84 KMT2A (0.37) KMT2ASMN1; SMN2UTS2RCNR1CNR2
SCHEMBL1884159 0.83 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2MAPK1CYP1A2
SCHEMBL1886107 0.82 CNR1 (0.38) KMT2AMEN1SMN1; SMN2UTS2RCNR1
SCHEMBL1883432 0.82 UTS2R (0.34) KMT2AMEN1UTS2R
SCHEMBL638131 0.79 CCKBR (0.46) KMT2AMEN1ALDH1A1UTS2RLMNA
SCHEMBL1884773 0.79 MAPT (0.40) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL1884726 0.79 MAPT (0.40) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL1886215 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KMT2A 1917/4885MEN1 3461/4885SMN1; SMN2 900/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS KMT2A 1917/4885MEN1 3461/4885SMN1; SMN2 900/4885

“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.