SCHEMBL2779175

SCHEMBL2779175

CC(C(=O)O)n1c2c(c3cccnc31)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.72
PTGDR Q13258 11/20 0.72
CYP2C9 P11712 5/20 0.58
TBXA2R P21731 5/20 0.56
CYP3A4 P08684 2/20 0.49
DRD2 P14416 1/20 0.46
GABRA1 P14867 1/20 0.46
ADRA1D P25100 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL2522361 0.87 PTGDR2 (0.72) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL30608801 0.86 PTGDR2 (0.70) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL9988982 0.84 PTGDR2 (0.65) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL2778604 0.84 PTGDR2 (0.72) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL2777307 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL2775919 0.83 PTGDR2 (0.55) PTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL2779177 0.82 PTGDR2 (0.84) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL2216130 0.78 PTGDR2 (0.72) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL2778251 0.74 PTGDR2 (0.79) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL503112 0.74 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301168-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-08 US claimed
US-20110301168-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-08 US disclosed
WO-2010054113-A2 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-14 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-20110301168-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CYP2C9 1386/4885

“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.