SCHEMBL3230171

SCHEMBL3230171

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccccc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GUCY1B2 O75343 3/20 0.44
GUCY1A2 P33402 3/20 0.44
GUCY1A1 Q02108 3/20 0.44
GUCY1B1 Q02153 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
S1PR1 P21453 1/20 0.42
MPL P40238 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 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
SCHEMBL3233816 0.92 SMN1; SMN2 (0.49) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3238569 0.92 L3MBTL1 (0.46) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3228958 0.92 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3231428 0.92 NPC1 (0.43) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3231536 0.91 L3MBTL1 (0.46) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3224928 0.91 SMN1; SMN2 (0.40) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3227268 0.90 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3233476 0.90 FFAR2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3233253 0.90 RAB9A (0.47) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3225181 0.90 GUCY1B2 (0.42) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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