SCHEMBL3577681

SCHEMBL3577681

CCOC(=O)Cc1c(C)c(Sc2ccc(S(C)(=O)=O)cc2Cl)n2ccc(C#N)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
HCRTR2 O43614 1/20 0.33
SLC6A9 P48067 1/20 0.32
AR P10275 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3575105 0.90 PTGDR2 (0.53) PTGDR2PTGS2PTGS1
SCHEMBL2772075 0.87 PTGDR2 (0.38) PTGDR2PTGS2PTGS1FNTAFNTB
SCHEMBL4635720 0.85 PTGS2 (0.39) PTGDR2PTGS2PTGS1HCRTR2SLC6A9
SCHEMBL2770310 0.84 PTGDR2 (0.54) PTGDR2PTGS2PTGS1GAA
SCHEMBL2769710 0.80 PTGDR2 (0.66) PTGDR2PTGS2PTGS1GAA
SCHEMBL2768379 0.76 PTGDR2 (0.48) PTGDR2
SCHEMBL4635352 0.76 PTGS2 (0.40) PTGDR2PTGS2PTGS1AR
SCHEMBL2769893 0.74 PTGDR2 (0.44) PTGDR2PTGS2PTGS1HCRTR2
SCHEMBL4636239 0.74 PTGDR2 (0.35) PTGDR2PTGS2PTGS1FNTAFNTB
SCHEMBL4635729 0.73 SLC6A9 (0.34) PTGDR2PTGS2SLC6A9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 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-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PTGDR2 167/4885PTGS2 426/4885PTGS1 1072/4885

“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.