SCHEMBL1925920

SCHEMBL1925920

COc1ccc(C(=O)OCCCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
GSK3B P49841 1/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
ESR1 P03372 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL27824110 0.90 SMN1; SMN2 (0.64) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL13256587 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL29189867 0.88 TDP1 (0.61) SMN1; SMN2NPC1MAPTRAB9ALMNA
SCHEMBL516998 0.86 LMNA (0.72) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL11985689 0.86 MAPT (0.73) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL20073174 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL12532606 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1MAPTRAB9ACA1
SCHEMBL22660277 0.83 ESR1 (0.46) SMN1; SMN2ESR1CYP2D6KMT2ACYP3A4
SCHEMBL1987834 0.83 TSHR (0.68) SMN1; SMN2NPC1MAPTRAB9ALMNA
SCHEMBL18668887 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1MAPTRAB9ACA1

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 13 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
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP 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 SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC SMN1; SMN2 229/4885NPC1 3417/4885MAPT 1341/4885

“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.