SCHEMBL1216587

SCHEMBL1216587

CCOC(=O)Oc1ccc(C(C(C)COC(=O)c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1OC(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SYK P43405 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 4/20 0.35
APP P05067 2/20 0.35
TSHR P16473 1/20 0.34
PPARD Q03181 2/20 0.34
CTSS P25774 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
CA2 P00918 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL1217729 0.92 PPARA (0.36) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1217248 0.91 PPARA (0.38) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1207874 0.90 ALDH1A1 (0.43) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1210556 0.90 ALDH1A1 (0.43) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1218074 0.90 CTSS (0.36) PPARGKMT2ACTSKTSHRCTSS
Hydrochloric Acid SCHEMBL3747460 0.89 ADRB2 (0.44) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1218892 0.84 PPARA (0.42) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1213249 0.83 SERPINE1 (0.41) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL1210010 0.81 MAPT (0.39) ADRB2ADRB1ADRB3KMT2A
SCHEMBL1209044 0.81 MAPT (0.39) ADRB2ADRB1ADRB3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2011-02-03 US disclosed
US-7829592-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2010-11-09 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 (1 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-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, PARK7, DDT PPARG 1561/4885PPARA 1567/4885ADRB2 537/4885

“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.