SCHEMBL4683288

SCHEMBL4683288

O=C(NCCOC(=O)ON1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
KAT2B Q92831 1/20 0.46
TGM2 P21980 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
FOLH1 Q04609 1/20 0.44
IDO1 P14902 2/20 0.44
TDO2 P48775 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL11527408 0.93 HTT (0.54) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11528741 0.92 HTT (0.53) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11529716 0.86 L3MBTL1 (0.46) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL11259520 0.85 LMNA (0.59) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL142445 0.84 ALDH1A1 (0.47) LMNAL3MBTL1CCNE1CDK2GSK3B
SCHEMBL11323517 0.84 ALDH1A1 (0.47) LMNAL3MBTL1CCNE1CDK2GSK3B
SCHEMBL6420313 0.84 GAA (0.58) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL25333732 0.83 LMNA (0.63) LMNASMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL1279658 0.83 ALDH1A1 (0.46) LMNAL3MBTL1CCNE1CDK2GSK3B
SCHEMBL1231646 0.82 HTT (0.62) LMNASMN1; SMN2HTTGAAKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
EP-1957464-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR Abbott Laboratories (US) 2008-08-20 EP disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 US disclosed
US-4180565-A ANTIBACTERIAL AGENTS, ANTIBIOTICS SCHERING CORPORATION (US) 1979-12-25 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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 LMNA 4182/4885SMN1; SMN2 3168/4885L3MBTL1 2871/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 LMNA 4182/4885SMN1; SMN2 3168/4885L3MBTL1 2871/4885

“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.