SCHEMBL1671945

SCHEMBL1671945

CC(C)(C)OC(=O)c1cc(N)ccc1OCC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1H2 P55055 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2A P28223 1/20 0.36
AAK1 Q2M2I8 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.34
SLC7A5 Q01650 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
P2RX3 P56373 1/20 0.34
ABCB1 P08183 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
SCHEMBL1672502 0.83 GAA (0.48) GAAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL31656226 0.81 MAPT (0.40) GAAALDH1A1NR1H2HTR2A
SCHEMBL7263006 0.81 PTGDR2 (0.39) GAAALDH1A1NR1H2HTR2AMEN1
SCHEMBL596796 0.79 ALDH1A1 (0.39) GAAALDH1A1NR1H2ADRB2ADRB1
SCHEMBL12799943 0.78 PTGES (0.39) ADRB2ADRB1AAK1PTGESHCRTR1
SCHEMBL16423597 0.77 ALDH1A1 (0.54) GAAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6568096 0.76 IDO1 (0.33) GAAALDH1A1NR1H2MEN1KMT2A
SCHEMBL6567908 0.75 GRM6 (0.36) GAAALDH1A1NR1H2MEN1KMT2A
SCHEMBL16680530 0.75 NR1H2 (0.34) GAAALDH1A1NR1H2HTR2AMEN1
SCHEMBL14505214 0.74 GAA (0.40) GAAALDH1A1NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 GAA 2196/4885ALDH1A1 228/4885NR1H2 77/4885

“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.