SCHEMBL975841

SCHEMBL975841

CS(=O)(=O)N(c1cc(F)cc(C(=O)O)c1)C1CN(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
HSD11B1 P28845 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
LIPE Q05469 1/20 0.34
CCR5 P51681 2/20 0.33
IDH1 O75874 4/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 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
SCHEMBL977905 0.92 ACHE (0.40) ACHEMEN1KMT2AMRGPRX4HSD11B1
SCHEMBL977372 0.90 OPRD1 (0.36) KMT2ACCR5
SCHEMBL975366 0.89 KCNH2 (0.36) PPARAMRGPRX4PDE2A
SCHEMBL977229 0.89 OPRD1 (0.35) MEN1KMT2ACCR5
SCHEMBL978279 0.87 OPRD1 (0.34) MEN1KMT2ACCR5
SCHEMBL974203 0.86 SLC6A9 (0.38) CCR5
SCHEMBL977213 0.86 OPRD1 (0.33) MEN1KMT2ACCR5
SCHEMBL976433 0.84 PDE2A (0.36) ACHEPDE2A
SCHEMBL979149 0.83 EPHX2 (0.37) HSD11B1
SCHEMBL975371 0.82 MGLL (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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
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 ACHE 529/4885MEN1 1111/4885KMT2A 2003/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ACHE 529/4885MEN1 1111/4885KMT2A 2003/4885

“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.