SCHEMBL883863

SCHEMBL883863

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.50
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
ABCB11 O95342 1/20 0.38
AKR1B1 P15121 1/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL585612 0.89 PTGDR2 (0.56) PTGDR2AKR1C3AKR1C2
SCHEMBL883873 0.82 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL883834 0.78 PTGDR2 (0.45) PTGDR2AKR1C3AKR1C2
SCHEMBL27849046 0.77 PTGDR2 (0.46) PTGDR2
SCHEMBL883830 0.77 PTGDR2 (0.43) PTGDR2AKR1C3AKR1C2KCNQ3KCNQ2
SCHEMBL585444 0.77 RORC (0.44) PTGDR2
SCHEMBL586201 0.77 PTGDR2 (0.47) PTGDR2
SCHEMBL27849062 0.76 PTGDR2 (0.55) PTGDR2
SCHEMBL12777274 0.75 PTGDR2 (0.45) PTGDR2KCNQ3KCNQ2
SCHEMBL4194515 0.73 PTGDR2 (0.45) PTGDR2AKR1C3AKR1C2

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-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
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP 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 (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-20090192163-A1 Novel Compounds PAH, PC, DDC PTGDR2 1000/4885AKR1C3 228/4885AKR1C2 240/4885

“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.