SCHEMBL3364389

SCHEMBL3364389

O=S(=O)(Cc1ccc(F)cc1F)N1CCCC1c1nnc(-c2cccnc2)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 1/20 0.39
USP30 Q70CQ3 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 4/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL3369449 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1NPSR1DPP4USP30
SCHEMBL3364395 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1NPSR1USP30NPC1
SCHEMBL6170973 0.82 HCRTR2 (0.42) DPP4SCD
SCHEMBL6069077 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1NPSR1DPP4USP30
SCHEMBL3366667 0.80 KDM4E (0.43) ALDH1A1MAPK1NPSR1NPC1RAB9A
SCHEMBL3369442 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1NPSR1USP30NPC1
SCHEMBL3366706 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1NPC1SMN1; SMN2
SCHEMBL6169190 0.76 MAPT (0.39) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3367393 0.73 MAPT (0.51) ALDH1A1MAPK1NPSR1NPC1RAB9A
SCHEMBL3368142 0.72 CYP2C19 (0.44) ALDH1A1MAPK1DPP4USP30NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US claimed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 US claimed
EP-1532141-A1 2-PYRROLIDIN-2-YL- 1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2005-05-25 EP claimed
WO-2004024725-A1 2-PYRROLIDIN-2-YL-[1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2004-03-25 WO claimed
EP-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP disclosed
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US disclosed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C ALDH1A1 510/4885MAPK1 2380/4885NPSR1 142/4885

“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.