Sugi Predict

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SCHEMBL977049

SCHEMBL977049

CCOC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(C#N)cc3)c3ccc(C#N)cc3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.39
▸ HPGD P15428 1/20 0.36
▸ P2RY12 Q9H244 3/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ ELANE P08246 2/20 0.35
▸ SCN5A Q14524 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ EPHX2 P34913 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL978430 0.89 HPGD (0.38) SCN9AHPGDCA1CA2
SCHEMBL977039 0.89 NHERF1 (0.40) SCN9AHPGDSCN5ACA1CA2
SCHEMBL974855 0.88 HPGD (0.38) SCN9AHPGDCA1CA2CYP2C19
SCHEMBL979148 0.88 SCN9A (0.42) SCN9ACYP2C9SCN5AEPHX2CYP2C19
SCHEMBL976538 0.87 BCHE (0.38) SCN9AHPGDCA1CA2
SCHEMBL979322 0.83 TCF4 (0.37) SCN9AHPGDCYP2C9SCN5AKDM4E
SCHEMBL975372 0.83 KDM4E (0.41) SCN9AHPGDSCN5ACA1CA2
SCHEMBL975579 0.83 SCN9A (0.37) SCN9ACYP2C9SCN5AEPHX2CYP2C19
SCHEMBL977022 0.81 SLC6A9 (0.37) SCN9AHPGDSCN5AKDM4EALDH1A1
SCHEMBL978278 0.80 FABP4 (0.37) SCN9ASCN5ACA1CA2

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 SCN9A 694/4885HPGD 1612/4885P2RY12 664/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885HPGD 1612/4885P2RY12 664/4885

“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.