SCHEMBL9877787

SCHEMBL9877787

CC1(C)[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3)[C@@H](CC=CCCCC(=O)O)[C@@H]1C2

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 13/20 0.90
TBXA2R P21731 11/20 0.63
PTGIR P43119 2/20 0.63

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
SCHEMBL9877786 1.00 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL8105026 1.00 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL8106697 1.00 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL7715156 1.00 PTGDR (0.90) PTGDRTBXA2RPTGIR
SCHEMBL8106322 0.93 PTGDR (0.83) PTGDRTBXA2RPTGIR
SCHEMBL8106326 0.93 PTGDR (0.83) PTGDRTBXA2RPTGIR
SCHEMBL8104420 0.93 PTGDR (0.83) PTGDRTBXA2RPTGIR
SCHEMBL9059978 0.92 PTGDR (0.82) PTGDRTBXA2RPTGIR
SCHEMBL9346708 0.92 PTGDR (0.82) PTGDRTBXA2RPTGIR
SCHEMBL31678907 0.92 PTGDR (0.82) PTGDRTBXA2RPTGIR

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
EP-0226346-B1 BICYCLIC SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-08-14 EP claimed
US-4861913-A Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1989-08-29 US claimed
EP-0226346-A1 Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1987-06-24 EP claimed
EP-0226346-B1 BICYCLIC SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-08-14 EP disclosed