SCHEMBL3412205

SCHEMBL3412205

C[C@H](COC(=O)c1ccccc1)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.51
ALOX15 P16050 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RECQL P46063 3/20 0.51
HIF1A Q16665 3/20 0.51
HSD17B10 Q99714 3/20 0.51
USP2 O75604 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
HTR2A P28223 2/20 0.51
PTGS2 P35354 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
PTGS1 P23219 1/20 0.51
ESR1 P03372 3/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SLC1A5 Q15758 1/20 0.41

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
SCHEMBL2311992 0.91 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL3411781 0.91 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL10318019 0.91 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL1172012 0.86 SLC7A5 (0.46) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL8230342 0.82 SLC7A5 (0.40) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL15120465 0.81 ALOX15 (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL15275682 0.80 ALOX15 (0.57) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL11754517 0.80 ALOX15 (0.57) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL1893385 0.80 SLC7A5 (0.55) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL6140245 0.79 ALOX15 (0.62) SLC7A5ALOX15KDM4ERECQLHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163958-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2012-04-24 US disclosed
US-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-08-18 US disclosed
US-7956212-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2011-06-07 US disclosed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 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 (3 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-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC SLC7A5 468/4885ALOX15 986/4885KDM4E 2224/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC SLC7A5 468/4885ALOX15 986/4885KDM4E 2224/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC SLC7A5 468/4885ALOX15 986/4885KDM4E 2224/4885

“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.