SCHEMBL2275799

SCHEMBL2275799

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.49
PTGDR Q13258 9/20 0.49
CA5A P35218 1/20 0.47
CHRM1 P11229 1/20 0.46
CYP3A4 P08684 2/20 0.45
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
Benzene SCHEMBL2275811 0.88 PTGDR2 (0.51) PTGDR2PTGDRCA5ACHRM1CYP3A4
SCHEMBL350065 0.82 CYP3A4 (0.51) PTGDR2PTGDRCA5ACHRM1CYP3A4
SCHEMBL2280248 0.80 CHRM1 (0.46) PTGDR2PTGDRCA5ACHRM1CYP3A4
Benzene SCHEMBL2280257 0.79 PTGDR2 (0.46) PTGDR2PTGDRCA5ACHRM1CYP3A4
SCHEMBL2280777 0.77 PTGDR2 (0.55) PTGDR2PTGDRCA5ACYP3A4TDP1
SCHEMBL21328360 0.76 GAA (0.70) PTGDR2CA5ACYP3A4GAAALDH1A1
SCHEMBL2275814 0.76 CA5A (0.46) PTGDR2PTGDRCA5ACYP3A4GAA
SCHEMBL2275802 0.76 CA5A (0.46) PTGDR2PTGDRCA5ACYP3A4GAA
SCHEMBL349847 0.75 PTGDR2 (0.52) PTGDR2PTGDRCYP3A4GAAALDH1A1
SCHEMBL21328347 0.74 CA5A (0.66) CA5ACYP3A4GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CA5A 2008/4885

“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.