SCHEMBL2233101

SCHEMBL2233101

CCOC(C)(OCC)C(=O)OCOC(=O)NCCCC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
LIPE Q05469 1/20 0.35
ELANE P08246 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL637838 0.99 ABCB11 (0.39) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL2231127 0.88 ELANE (0.44) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL637464 0.87 ELANE (0.43) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL2230629 0.83 KMT2A (0.45) L3MBTL1EPHX2TAAR1KMT2ATDP1
SCHEMBL638109 0.82 KMT2A (0.44) L3MBTL1EPHX2TAAR1KMT2ATDP1
SCHEMBL917267 0.82 MEN1 (0.46) EPHX2TAAR1KMT2AHSP90AA1MEN1
SCHEMBL2231742 0.82 TAAR1 (0.43) L3MBTL1EPHX2TAAR1KMT2ATDP1
SCHEMBL636142 0.81 TAAR1 (0.42) L3MBTL1EPHX2TAAR1KMT2ATDP1
SCHEMBL917741 0.79 TAAR1 (0.39) L3MBTL1EPHX2TAAR1KMT2ATDP1
SCHEMBL915659 0.78 TAAR1 (0.40) L3MBTL1EPHX2TAAR1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed
US-20090118365-A1 Use of Prodrugs of GABA B Agonists for Treating Neuropathic and Musculoskeletal Pain XENOPORT, INC (US) 2009-05-07 US disclosed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 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 (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-20090118365-A1 Use of Prodrugs of GABA B Agonists for Treating Neuropathic and Musculoskeletal Pain GABBR1, GABBR2, GABRB2 ABCB11 875/4885CYP1A2 237/4885CYP3A4 301/4885

“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.