SCHEMBL883873

SCHEMBL883873

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.49
NR3C1 P04150 1/20 0.45
RXRA P19793 4/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 4/20 0.44
RORC P51449 1/20 0.40
AKR1B1 P15121 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL586124 0.90 PTGDR2 (0.47) PTGDR2NR3C1RXRARXRBRXRG
SCHEMBL883847 0.89 PTGDR2 (0.48) PTGDR2RXRARXRBRXRGAKR1B1
SCHEMBL883843 0.88 PTGDR2 (0.56) PTGDR2RXRARXRBRXRG
SCHEMBL883861 0.88 PTGDR2 (0.56) PTGDR2NR3C1RXRARXRBRXRG
SCHEMBL585444 0.88 RORC (0.44) PTGDR2RORC
SCHEMBL883842 0.86 SLC22A12 (0.46) PTGDR2RXRARXRBRXRG
SCHEMBL883863 0.82 PTGDR2 (0.50) PTGDR2AKR1B1
SCHEMBL2067362 0.80 NR3C1 (0.50) PTGDR2NR3C1RXRARXRBRXRG
SCHEMBL585822 0.79 KCNQ3 (0.41) PTGDR2NR3C1RORC
SCHEMBL2065914 0.79 PTGDR2 (0.49) PTGDR2NR3C1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US claimed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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 (2 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PTGDR2 120/4885NR3C1 523/4885RXRA 1859/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC PTGDR2 1000/4885NR3C1 986/4885RXRA 581/4885

“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.