SCHEMBL2280248

SCHEMBL2280248

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1C[S+]([O-])Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
PTGDR2 Q9Y5Y4 10/20 0.44
PTGDR Q13258 4/20 0.43
CYP3A4 P08684 3/20 0.43
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 0.42
CA5A P35218 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 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
Benzene SCHEMBL2280257 0.89 PTGDR2 (0.46) CHRM1PTGDR2PTGDRCYP3A4GAA
SCHEMBL350065 0.81 CYP3A4 (0.51) CHRM1PTGDR2PTGDRCYP3A4GAA
SCHEMBL2275799 0.80 PTGDR2 (0.49) CHRM1PTGDR2PTGDRCYP3A4GAA
Benzene SCHEMBL2275811 0.79 PTGDR2 (0.51) CHRM1PTGDR2PTGDRCYP3A4GAA
SCHEMBL2280260 0.78 GAA (0.43) PTGDR2PTGDRCYP3A4GAAALDH1A1
SCHEMBL2279306 0.77 PTGDR2 (0.54) PTGDR2PTGDRCYP3A4TDP1
SCHEMBL12197416 0.76 PTGDR2 (0.48) PTGDR2PTGDRCYP3A4
SCHEMBL2280252 0.76 PTGDR2 (0.45) PTGDR2PTGDRCYP3A4GAAALDH1A1
SCHEMBL348740 0.76 PTGDR2 (0.53) PTGDR2PTGDRCYP3A4ALDH1A1KMT2A
SCHEMBL21328360 0.76 GAA (0.70) PTGDR2CYP3A4GAAALDH1A1TSHR

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 CHRM1 1192/4885PTGDR2 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.