SCHEMBL698600

SCHEMBL698600

O=C(O)Cn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.82
TBXA2R P21731 8/20 0.82
PTGDR Q13258 5/20 0.82
ABCB11 O95342 1/20 0.68
CYP2C9 P11712 1/20 0.68
DRD1 P21728 1/20 0.68
CCKAR P32238 1/20 0.68
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL9879982 0.92 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL8980256 0.91 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL19799335 0.90 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL18456875 0.90 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL16558830 0.90 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL3021349 0.88 PTGDR2 (0.78) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9431000 0.87 TBXA2R (0.64) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9833660 0.83 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL833260 0.82 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL833259 0.82 PTGDR2 (0.70) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423190-A1 Compounds Exhibiting PGD 2 Receptor Antagonism Shionogi&Co., Ltd. (JP) 2012-02-29 EP claimed
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 US claimed
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2005-08-04 US claimed
EP-1505061-A1 COMPOUND EXHIBITING PGD 2 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2005-02-09 EP claimed
WO-2021066136-A1 THERAPEUTIC AGENT FOR MUSCULAR DYSTROPHY 国立大学法人東京大学 2021-04-08 WO disclosed
EP-2423190-A1 Compounds Exhibiting PGD 2 Receptor Antagonism Shionogi&Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 US disclosed
US-7534897-B2 Indole arylsulfonaimide compounds exhibiting PGD 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2009-05-19 US disclosed
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2005-08-04 US disclosed
EP-1505061-A1 COMPOUND EXHIBITING PGD 2 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2005-02-09 EP 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 (2 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
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism CYSLTR2, CYSLTR1, HRH2 PTGDR2 5/4885TBXA2R 18/4885PTGDR 6/4885

“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.