Sugi Predict

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SCHEMBL977060

SCHEMBL977060

C[C@H](NC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)C2)S(C)(=O)=O)c1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BACE1 P56817 5/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL977024 0.93 BACE1 (0.38) BACE1SCN9ABACE2
SCHEMBL974838 0.91 F2 (0.34) CA12CA1CA9BACE1BACE2
SCHEMBL974739 0.91 F2 (0.34) CA12CA1CA9BACE1BACE2
SCHEMBL978480 0.91 BACE1 (0.34) CA12CA1CA9BACE1FPR2
SCHEMBL977101 0.89 HPGDS (0.39) BACE1SCN9ABACE2
SCHEMBL975577 0.89 EPHX2 (0.35) CA12CA1CA9BACE1KDM1A
SCHEMBL976734 0.88 CCR2 (0.38) CA12CA1CA9
SCHEMBL975366 0.85 KCNH2 (0.36) PDE2ASCN9AKCNH2PTGS1PTGS2
SCHEMBL977440 0.83 PSEN1 (0.34) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL977151 0.83 ERAP1 (0.37) CA1BACE1BACE2

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 — — US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 — — US disclosed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 — — 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 (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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PDE2A 181/4885BDKRB1 33/4885CA12 4557/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PDE2A 181/4885BDKRB1 33/4885CA12 4557/4885

“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.