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Sugi Predict / Compounds / SCHEMBL409560

SCHEMBL409560

SCHEMBL409560

CN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.38
▸ NSD2 O96028 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ NR1D1 P20393 1/20 0.35
▸ CTSS P25774 3/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSK P43235 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ EPAS1 Q99814 4/20 0.33
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ACACB O00763 1/20 0.32

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
SCHEMBL30262591 0.90 NR1D1 (0.43) ABCB1NSD2NR1D1CTSSCTSL
SCHEMBL24022849 0.90 NR1D1 (0.43) ABCB1NSD2NR1D1CTSSCTSL
SCHEMBL411215 0.88 NSD2 (0.34) ABCB1NSD2CTSSCTSLCTSB
SCHEMBL24022834 0.86 ABCB1 (0.37) ABCB1NSD2NR1D1CTSSCTSL
SCHEMBL411371 0.85 POLB (0.42) ABCB1POLBNR1D1CTSSCTSL
SCHEMBL27001705 0.84 NR1D1 (0.39) ABCB1NSD2NR1D1CTSSCTSL
SCHEMBL24039066 0.83 NR1D1 (0.38) ABCB1NSD2NR1D1CTSSCTSK
SCHEMBL405431 0.82 ABCB1 (0.39) ABCB1NSD2NR1D1CTSSCTSL
SCHEMBL25941174 0.82 MTNR1A (0.42) ABCB1CTSSCTSKEPAS1MTNR1A
SCHEMBL408817 0.81 POLB (0.52) ABCB1NSD2POLBNR1D1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 — — EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 — — EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 — — US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 — — US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 — — EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 — — US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 — — WO 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ABCB1 1198/4885NSD2 1926/4885POLB 1608/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ABCB1 1198/4885NSD2 1926/4885POLB 1608/4885

“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.