SCHEMBL1172012

SCHEMBL1172012

CC(COC(=O)C(N)Cc1ccc(O)c(O)c1)OC(=O)c1ccccc1.CS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 2/20 0.46
EGFR known ✓ P00533 1/20 0.46
ADRB2 known ✓ P07550 1/20 0.38
CHRM1 known ✓ P11229 1/20 0.36
DRD2 known ✓ P14416 1/20 0.36
ADRA2B known ✓ P18089 1/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
DRD3 known ✓ P35462 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
SLC7A5 Q01650 7/20 0.46
ALOX15 P16050 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
PTGS2 P35354 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL10318019 0.95 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL2311992 0.95 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL3411781 0.95 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL8230342 0.86 SLC7A5 (0.40) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL3412205 0.86 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL12646479 0.85 CA1 (0.40) ALOX15KDM4ERECQLHIF1AHSD17B10
SCHEMBL15120465 0.84 ALOX15 (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL12646488 0.82 LCK (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL9883712 0.82 LCK (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL1172262 0.79 CA1 (0.47) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959948-B1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT INC (US) 2012-07-18 EP claimed
US-8193242-B2 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. (US) 2012-06-05 US claimed
US-7968597-B2 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. (US) 2011-06-28 US claimed
US-20110111062-A1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. 2011-05-12 US claimed
US-7893105-B2 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. (US) 2011-02-22 US claimed
US-20090326067-A1 Levodopa Prodrug Mesylate, Compositions Thereof, and Uses Thereof XENOPORT, INC. (US) 2009-12-31 US claimed
US-7563821-B2 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. (US) 2009-07-21 US claimed
US-20090156679-A1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. 2009-06-18 US claimed
EP-1959948-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF Xenoport, Inc. (US) 2008-08-27 EP claimed
US-20070225366-A1 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. 2007-09-27 US claimed
WO-2007067495-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. (US) 2007-06-14 WO claimed
US-8722733-B2 Levodopa prodrug mesylate hydrate XENOPORT, INC. (US) 2014-05-13 US disclosed
US-20130184344-A1 LEVODOPA PRODRUG MESYLATE HYDRATE XENOPORT, INC. (US) 2013-07-18 US disclosed
US-8399513-B2 Levodopa prodrug mesylate hydrate XENOPORT, INC. (US) 2013-03-19 US disclosed
US-20120296109-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-11-22 US disclosed
US-7563821-B2 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. (US) 2009-07-21 US disclosed
US-20090156679-A1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. 2009-06-18 US disclosed
EP-1959948-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF Xenoport, Inc. (US) 2008-08-27 EP disclosed
US-20070225366-A1 Levodopa prodrug mesylate, compositions thereof, and uses thereof XENOPORT, INC. 2007-09-27 US disclosed
WO-2007067495-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. (US) 2007-06-14 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 (6 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-20090156679-A1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF COMT, PARK7, SNCA HTR2A 137/4885EGFR 4020/4885ADRB2 1580/4885
US-20130184344-A1 LEVODOPA PRODRUG MESYLATE HYDRATE PARK7, COMT, SLC6A3 HTR2A 61/4885EGFR 4702/4885ADRB2 1009/4885
US-20090326067-A1 Levodopa Prodrug Mesylate, Compositions Thereof, and Uses Thereof COMT, PARK7, SNCA HTR2A 137/4885EGFR 4020/4885ADRB2 1580/4885
US-20110111062-A1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF COMT, PARK7, SNCA HTR2A 137/4885EGFR 4020/4885ADRB2 1580/4885
US-20120296109-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, PARK7, SNCA HTR2A 200/4885EGFR 3812/4885ADRB2 1497/4885
US-20070225366-A1 Levodopa prodrug mesylate, compositions thereof, and uses thereof COMT, PARK7, SNCA HTR2A 137/4885EGFR 4020/4885ADRB2 1580/4885

“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.