Sugi Predict

Sugi Predict / Compounds / SCHEMBL979149

SCHEMBL979149

SCHEMBL979149

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ SCN5A Q14524 2/20 0.35
▸ PTGDR Q13258 2/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ OPRD1 P41143 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ NR3C2 P08235 4/20 0.32
▸ NSD2 O96028 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ DGKI O75912 1/20 0.31
▸ DGKA P23743 1/20 0.31
▸ DGKZ Q13574 1/20 0.31

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
SCHEMBL977229 0.90 OPRD1 (0.35) EPHX2SCN9AMGLLOPRD1ALDH1A1
SCHEMBL978279 0.88 OPRD1 (0.34) SCN9ASCN5AOPRD1ALDH1A1
SCHEMBL977048 0.88 ELANE (0.37) EPHX2CYP2C9CYP2C19CYP2J2SCN9A
SCHEMBL977213 0.87 OPRD1 (0.33) SCN9ASCN5APTGDRTBXA2ROPRD1
SCHEMBL974203 0.87 SLC6A9 (0.38) PTGDRTBXA2ROPRD1
SCHEMBL975366 0.87 KCNH2 (0.36) SCN9ASCN5APTGDRTBXA2ROPRD1
SCHEMBL977372 0.86 OPRD1 (0.36) CYP2C9SCN9AMGLLOPRD1ALDH1A1
SCHEMBL975577 0.85 EPHX2 (0.35) EPHX2CYP2C9CYP2C19CYP2J2SCN9A
SCHEMBL975565 0.85 SLC6A9 (0.36) MGLLOPRD1NSD2
SCHEMBL975841 0.83 ACHE (0.41) HSD11B1

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 EPHX2 968/4885CYP2C9 55/4885CYP2C19 25/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EPHX2 968/4885CYP2C9 55/4885CYP2C19 25/4885

“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.