SCHEMBL1216618

SCHEMBL1216618

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
PTPN1 P18031 1/20 0.50
CTSS P25774 8/20 0.47
CTSK P43235 7/20 0.47
CTSB P07858 3/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
PPARD Q03181 2/20 0.46
CTSL P07711 1/20 0.46

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
Hydrochloric Acid SCHEMBL1214885 0.99 ACE (0.54) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL27406863 0.89 ACE (0.56) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL1217701 0.87 ALOX15 (0.57) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL4801162 0.85 ACE (0.52) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL4801147 0.85 ACE (0.52) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL4801481 0.85 ACE (0.52) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL4739186 0.85 ACE (0.52) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL9888253 0.85 ACE (0.53) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL15253563 0.85 ACE (0.53) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL1069784 0.85 ALDH1A1 (0.44) ACEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US claimed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO claimed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2011-02-03 US disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US disclosed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
WO-2008034087-A2 TREATING SCHIZOPHRENIA WITH COMBINATIONS OF LEVODOPA AND AN ANTIPSYCHOTIC AGENT XENOPORT, INC. (US) 2008-03-20 WO disclosed
US-5580904-A PENETRATE BLOOD-BRAIN BARRIER DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1996-12-03 US disclosed
EP-0614886-B1 COMPOUND CAPABLE OF INTRACEREBRAL RESIDENCE AND USE THEREOF DRUG DELIVERY SYSTEM INST LTD (JP) 1996-10-16 EP disclosed
EP-0614886-A1 COMPOUND CAPABLE OF INTRACEREBRAL RESIDENCE AND USE THEREOF DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1994-09-14 EP 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-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT ACE 245/4885ITGB3 4675/4885ITGA2B 4736/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 ACE 855/4885ITGB3 4637/4885ITGA2B 4657/4885
US-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, PARK7, DDT ACE 245/4885ITGB3 4675/4885ITGA2B 4736/4885

“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.