SCHEMBL2980320

SCHEMBL2980320

C[CH][C@H](C)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
NPC1 O15118 5/20 0.50
LMNA P02545 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
F2 P00734 1/20 0.48
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL2982474 1.00 TSHR (0.55) TSHRTP53PDCD1CD274NPC1
SCHEMBL4445776 1.00 TSHR (0.55) TSHRTP53PDCD1CD274NPC1
SCHEMBL15869127 0.85 TSHR (0.52) TSHRTP53PDCD1CD274NPC1
SCHEMBL28806978 0.85 TSHR (0.60) TSHRTP53PDCD1CD274NPC1
SCHEMBL2220690 0.85 TSHR (0.60) TSHRTP53PDCD1CD274NPC1
SCHEMBL18232765 0.85 TSHR (0.60) TSHRTP53PDCD1CD274NPC1
SCHEMBL9330992 0.83 TSHR (0.53) TSHRTP53PDCD1CD274NPC1
SCHEMBL6501999 0.83 TSHR (0.53) TSHRTP53PDCD1CD274NPC1
SCHEMBL4440600 0.81 MAPT (0.47) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL2984081 0.81 MAPT (0.47) PDCD1CD274NPC1RAB9AALDH1A1

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-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP claimed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US claimed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 US claimed
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US claimed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US claimed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO claimed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US claimed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US claimed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-8324272-B2 Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US 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 (8 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC TSHR 2748/4885TP53 2328/4885PDCD1 1081/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC TSHR 2158/4885TP53 4360/4885PDCD1 2108/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC TSHR 2158/4885TP53 4360/4885PDCD1 2108/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC TSHR 2158/4885TP53 4360/4885PDCD1 2108/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC TSHR 2693/4885TP53 2490/4885PDCD1 1275/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC TSHR 2158/4885TP53 4360/4885PDCD1 2108/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT TSHR 3809/4885TP53 2133/4885PDCD1 1900/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 TSHR 3104/4885TP53 2375/4885PDCD1 3911/4885

“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.