SCHEMBL977822

SCHEMBL977822

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 5/20 0.36
PPARG P37231 3/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
CNR1 P21554 3/20 0.35
RHOC P08134 2/20 0.34
RHOA P61586 2/20 0.34
UTS2R Q9UKP6 2/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
CNR2 P34972 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
SCHEMBL976057 0.90 NOTUM (0.38) MEN1KMT2ASLC6A9CACNA1BCNR1
SCHEMBL975245 0.89 SLC6A9 (0.39) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974203 0.88 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977001 0.87 LMNA (0.34) MEN1KMT2AUTS2R
SCHEMBL977115 0.87 F2 (0.42) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974409 0.86 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3404903 0.86 RHOC (0.42) RHOCRHOA
SCHEMBL3429829 0.86 UTS2R (0.40) RHOCRHOAUTS2R
SCHEMBL975366 0.85 KCNH2 (0.36) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3406266 0.85 UTS2R (0.39) RHOCRHOAUTS2R

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 MEN1 1111/4885KMT2A 2003/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MEN1 1111/4885KMT2A 2003/4885SLC6A9 2158/4885

“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.