SCHEMBL1927641

SCHEMBL1927641

CC(C)OC(=O)C1=CC=CN(Br)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA14 Q9ULX7 6/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27531014 0.75
SCHEMBL27591875 0.73 PDCD1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL10261177 0.72 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5972221 0.64 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9805766 0.62 CHRM3 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3043749 0.61 TSHR (0.37) CA12CA1CA2CA7CA9
SCHEMBL17049264 0.60 HDAC4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL21900929 0.59 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL24471530 0.58 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5433945 0.58 TSHR (0.40) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-07-26 US disclosed
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-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP disclosed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 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 (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-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC CA12 4142/4885CA1 3469/4885CA2 4601/4885

“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.