SCHEMBL13677409

SCHEMBL13677409

COC(=O)Cn1c2c(c3ccccc31)CC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.48
TBXA2R P21731 5/20 0.48
PTGDR Q13258 5/20 0.48
HSD17B10 Q99714 2/20 0.43
ABCB11 O95342 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD1 P21728 1/20 0.42
CCKAR P32238 1/20 0.42
USP14 P54578 1/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KCNA3 P22001 1/20 0.41
LMNA P02545 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
SCHEMBL13841442 1.00 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL833419 0.91 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL833418 0.91 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL13841441 0.84 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL21754353 0.81 USP14 (0.42) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL13677407 0.80 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL833095 0.79 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRHSD17B10ABCB11
SCHEMBL2427080 0.78 KDM4E (0.50) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL832476 0.78 KMT2A (0.41) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL832475 0.78 KMT2A (0.41) PTGDR2TBXA2RPTGDRABCB11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 US 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-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST CYSLTR2, CYSLTR1, HRH2 PTGDR2 7/4885TBXA2R 18/4885PTGDR 8/4885

“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.