Sugi Predict

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SCHEMBL977176

SCHEMBL977176

CS(=O)(=O)N(c1ccc(F)c(C(=O)O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.38
▸ CACNA2D1 P54289 2/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ CACNB1 Q02641 2/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SCN7A Q01118 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPX4 P36969 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ CACNA1G O43497 1/20 0.32

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
SCHEMBL978426 0.89 ALDH1A1 (0.39) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977532 0.87 ERAP1 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977174 0.84 SCN9A (0.35) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL975705 0.84 TP53 (0.36) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL3655290 0.83 TSHR (0.35) SLC6A9SCN9ASCN7ASCN5ALMNA
SCHEMBL977991 0.83 TRPA1 (0.37) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL974203 0.83 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977045 0.82 CACNA2D1 (0.41) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL976850 0.82 SCN9A (0.34) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3662128 0.82 TSHR (0.35) SLC6A9SCN9ASCN7ASCN5ALMNA

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 SLC6A9 2158/4885CACNA2D1 2643/4885CACNA1B 1231/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CACNA2D1 2643/4885CACNA1B 1231/4885

“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.