SCHEMBL2275802

SCHEMBL2275802

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1C(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
PTGDR2 Q9Y5Y4 14/20 0.45
PTGDR Q13258 8/20 0.45
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2280252 0.81 PTGDR2 (0.45) CA5APTGDR2PTGDRCYP3A4ALDH1A1
Benzene SCHEMBL2275811 0.78 PTGDR2 (0.51) CA5APTGDR2PTGDRCYP3A4ALDH1A1
SCHEMBL2275799 0.76 PTGDR2 (0.49) CA5APTGDR2PTGDRCYP3A4ALDH1A1
SCHEMBL21328360 0.75 GAA (0.70) CA5APTGDR2CYP3A4ALDH1A1LMNA
SCHEMBL21328347 0.72 CA5A (0.66) CA5ACYP3A4ALDH1A1LMNANPSR1
SCHEMBL350065 0.72 CYP3A4 (0.51) CA5APTGDR2PTGDRCYP3A4ALDH1A1
SCHEMBL2503430 0.72 PTGDR2 (0.56) PTGDR2PTGDRCYP3A4
Benzene SCHEMBL2280257 0.71 PTGDR2 (0.46) CA5APTGDR2PTGDRCYP3A4ALDH1A1
SCHEMBL2280248 0.71 CHRM1 (0.46) CA5APTGDR2PTGDRCYP3A4ALDH1A1
SCHEMBL21328344 0.69 GAA (0.70) CA5APTGDR2ALDH1A1LMNANPSR1

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 4 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
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 CA5A 2008/4885PTGDR2 2/4885PTGDR 1/4885

“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.