SCHEMBL2233099

SCHEMBL2233099

CCOC(C)(OCC)C(=O)OCOC(=O)NC(CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
UTS2R Q9UKP6 16/20 0.37
CYP26A1 O43174 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 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
SCHEMBL637837 0.90 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTUTS2RABCB11
SCHEMBL2231120 0.88 UTS2R (0.40) UTS2RCYP26A1
SCHEMBL637135 0.86 CCKBR (0.42) HTTUTS2RPPARA
SCHEMBL2230625 0.83 UTS2R (0.40) SMN1; SMN2LMNAHTTUTS2R
SCHEMBL2231738 0.83 UTS2R (0.42) UTS2R
SCHEMBL2233808 0.82 UTS2R (0.41) SMN1; SMN2LMNAHTTUTS2R
SCHEMBL2233092 0.78 ATM (0.44) SMN1; SMN2LMNAABCB11CYP1A2CYP3A4
SCHEMBL2231327 0.78 UTS2R (0.47) UTS2R
SCHEMBL2230681 0.78 UTS2R (0.42) UTS2R
SCHEMBL6684836 0.78 SMN1; SMN2 (0.48) SMN1; SMN2UTS2R

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 SMN1; SMN2 56/4885LMNA 2460/4885HTT 4441/4885

“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.