SCHEMBL3233458

SCHEMBL3233458

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1c(-c2csc(N3CCC(C(=O)O)CC3)n2)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MPL P40238 5/20 0.44
GUCY1B2 O75343 13/20 0.42
GUCY1A2 P33402 13/20 0.42
GUCY1A1 Q02108 13/20 0.42
GUCY1B1 Q02153 13/20 0.42

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
SCHEMBL3234836 0.94 L3MBTL1 (0.44) L3MBTL1MPLGUCY1B2GUCY1A2GUCY1A1
SCHEMBL14952919 0.92 L3MBTL1 (0.48) L3MBTL1MPLGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3234891 0.92 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3230163 0.87 GUCY1B2 (0.44) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3228953 0.86 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3227268 0.86 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3235323 0.86 PTGDR2 (0.42) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3229063 0.85 GUCY1B2 (0.45) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3222758 0.85 L3MBTL1 (0.45) L3MBTL1MPLGUCY1B2GUCY1A2GUCY1A1
SCHEMBL14952900 0.84 L3MBTL1 (0.44) L3MBTL1MPLGUCY1B2GUCY1A2GUCY1A1

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-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed