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SCHEMBL1213249

SCHEMBL1213249

CC(COC(=O)c1ccccc1)C(c1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.41
▸ ADRB2 P07550 4/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ PPARA Q07869 4/20 0.40
▸ PPARG P37231 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL1216025 0.88 KDM4E (0.38) ADRB2PPARAKDM4EPOLBMAPT
SCHEMBL1217248 0.85 PPARA (0.38) SERPINE1ADRB2ADRB1ADRB3PPARA
SCHEMBL1207874 0.84 ALDH1A1 (0.43) ADRB2ADRB1ADRB3PPARAPPARG
SCHEMBL1210556 0.84 ALDH1A1 (0.43) ADRB2ADRB1ADRB3PPARAPPARG
SCHEMBL1926641 0.84 KDM4E (0.37) SERPINE1ADRB2PPARAPPARGKDM4E
SCHEMBL1218892 0.84 PPARA (0.42) ADRB2ADRB1ADRB3PPARAPPARG
Hydrochloric Acid SCHEMBL3747460 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3PPARAPPARG
SCHEMBL1216587 0.83 PPARG (0.36) ADRB2ADRB1ADRB3PPARAPPARG
SCHEMBL1217729 0.83 PPARA (0.36) SERPINE1ADRB2ADRB1ADRB3PPARA
SCHEMBL1927863 0.83 ADRB2 (0.45) SERPINE1ADRB2ADRB1ADRB3PPARA

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 6 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-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 (3 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 SERPINE1 3384/4885ADRB2 1185/4885ADRB1 1145/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC SERPINE1 3384/4885ADRB2 1185/4885ADRB1 1145/4885
US-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, PARK7, DDT SERPINE1 3774/4885ADRB2 537/4885ADRB1 741/4885

“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.