SCHEMBL2280260

SCHEMBL2280260

COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)c(C)c1[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
PTGDR2 Q9Y5Y4 8/20 0.42
CA5A P35218 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
PTGDR Q13258 1/20 0.38

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
SCHEMBL2275814 0.78 CA5A (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2280248 0.78 CHRM1 (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL21328360 0.76 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2281939 0.74 PTGDR2 (0.43) PTGDR2
Benzene SCHEMBL2280257 0.74 PTGDR2 (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL21328347 0.73 CA5A (0.66) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2505185 0.73 PTGDR2 (0.51) PTGDR2CYP3A4PTGDR
SCHEMBL30154464 0.72 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL586214 0.72 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL21328344 0.70 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1

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 GAA 3473/4885ALDH1A1 2155/4885TSHR 555/4885

“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.