SCHEMBL5430463

SCHEMBL5430463

CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)O)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.60
ABCB11 O95342 1/20 0.48
GCGR P47871 4/20 0.39
DDR1 Q08345 3/20 0.39
PPARD Q03181 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL5426703 0.90 ABCB11 (0.59) PTGDR2ABCB11GCGRPPARDPPARG
SCHEMBL13614386 0.88 PTGDR2 (0.46) PTGDR2GCGRDDR1FFAR4
SCHEMBL2099776 0.80 PTGDR2 (0.69) PTGDR2ABCB11
SCHEMBL12086397 0.79 ABCB11 (0.46) PTGDR2ABCB11GCGRDDR1FFAR4
SCHEMBL2102331 0.76 ABCB11 (0.81) PTGDR2ABCB11PPARDPPARGPPARA
SCHEMBL2101477 0.76 ABCB11 (0.81) PTGDR2ABCB11PPARDPPARGPPARA
SCHEMBL2101327 0.76 ABCB11 (0.55) PTGDR2ABCB11
SCHEMBL3838701 0.75 ABCB11 (0.54) PTGDR2ABCB11DDR1
SCHEMBL5425316 0.75 PTGDR2 (1.00) PTGDR2FFAR4
SCHEMBL15094094 0.73 POLQ (0.51) PTGDR2PPARDFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US claimed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 WO claimed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 PTGDR2 1/4885ABCB11 3090/4885GCGR 130/4885

“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.