SCHEMBL2280252

SCHEMBL2280252

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1C(c1ccccc1)[S+](C)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.45
PTGDR Q13258 8/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA5A P35218 1/20 0.40

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
SCHEMBL2275802 0.81 CA5A (0.46) PTGDR2PTGDRALDH1A1LMNAGAA
Benzene SCHEMBL2280257 0.79 PTGDR2 (0.46) PTGDR2PTGDRALDH1A1GAATSHR
SCHEMBL2280248 0.76 CHRM1 (0.46) PTGDR2PTGDRALDH1A1GAATSHR
SCHEMBL21328360 0.74 GAA (0.70) PTGDR2ALDH1A1LMNAGAATSHR
SCHEMBL2281931 0.73 PTGDR2 (0.42) PTGDR2
Benzene SCHEMBL2275811 0.73 PTGDR2 (0.51) PTGDR2PTGDRALDH1A1GAATSHR
SCHEMBL2275799 0.73 PTGDR2 (0.49) PTGDR2PTGDRALDH1A1GAATSHR
SCHEMBL2505182 0.72 PTGDR2 (0.55) PTGDR2PTGDRCYP3A4
SCHEMBL21328347 0.72 CA5A (0.66) ALDH1A1LMNAGAATSHRNFKB1
SCHEMBL350065 0.71 CYP3A4 (0.51) PTGDR2PTGDRALDH1A1LMNAGAA

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 PTGDR2 2/4885PTGDR 1/4885ALDH1A1 2155/4885

“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.