SCHEMBL242269

SCHEMBL242269

CC(C)(C)OC(=O)C(N)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.30

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
SCHEMBL1509172 0.81
SCHEMBL18896548 0.79 CA1 (0.35)
SCHEMBL30972554 0.77 LTA4H (0.38)
SCHEMBL21361052 0.77 LTA4H (0.33)
SCHEMBL1353684 0.76 NOS1 (0.39)
SCHEMBL2580873 0.76
SCHEMBL10869514 0.75 MGLL (0.34) MGLL
SCHEMBL13061953 0.75 MGLL (0.34) MGLL
SCHEMBL372025 0.75 ELANE (0.34) MGLL
SCHEMBL356572 0.75 MGLL (0.34) MGLL

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-8765934-B2 Methods for conjugating nucleic acids with small molecules KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-07-01 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20120177573-A1 METHODS FOR CONJUGATING NUCLEIC ACIDS WITH SMALL MOLECULES KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-07-12 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-7449558-B2 Site-specific labelling of proteins NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-11-11 US disclosed
US-20050158804-A1 Site-specific labelling of proteins NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-07-21 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 (4 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MGLL 2428/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MGLL 2428/4885
US-20120177573-A1 METHODS FOR CONJUGATING NUCLEIC ACIDS WITH SMALL MOLECULES RNGTT, POLM, POLRMT MGLL 2813/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MGLL 2428/4885

“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.