SCHEMBL3693498

SCHEMBL3693498

CC(C)(C)OC(=O)CCc1cc(N)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
STING1 Q86WV6 1/20 0.33
GAA P10253 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPK14 Q16539 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
NR1D1 P20393 1/20 0.30
APP P05067 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL22300585 0.83 CYP11B1 (0.39) GAATRPV1
SCHEMBL3694576 0.82 MTNR1A (0.37) MTNR1AMTNR1BHDAC8STING1CYP4F2
SCHEMBL38658706 0.82 MTNR1A (0.39) MTNR1AMTNR1BHDAC8STING1GAA
SCHEMBL31156763 0.79 CA2 (0.45) GAA
SCHEMBL25808897 0.79 CA2 (0.45) GAA
SCHEMBL30679864 0.78 MTNR1A (0.36) MTNR1AMTNR1BHDAC8STING1GAA
SCHEMBL18267809 0.78 HDAC8 (0.49) MTNR1AMTNR1BHDAC8STING1GAA
SCHEMBL1178025 0.78 MAOA (0.46) HDAC8NR1H2NR1H3THRATHRB
SCHEMBL23859885 0.77 CA1 (0.37) GAACTSSCTSKTRPV1
SCHEMBL16048629 0.77 MTNR1A (0.40) MTNR1AMTNR1BHDAC8STING1GAA

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-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 MTNR1A 2043/4885MTNR1B 1900/4885HDAC8 493/4885

“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.