Sugi Predict

Sugi Predict / Compounds / SCHEMBL977229

SCHEMBL977229

SCHEMBL977229

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.35
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL978279 0.94 OPRD1 (0.34) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974203 0.93 SLC6A9 (0.38) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977213 0.93 OPRD1 (0.33) OPRD1MEN1KMT2ASCN9ALMNA
SCHEMBL975366 0.92 KCNH2 (0.36) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977372 0.91 OPRD1 (0.36) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL979149 0.90 EPHX2 (0.37) OPRD1SCN9AMGLLEPHX2ALDH1A1
SCHEMBL2906421 0.89 POLB (0.34) CACNA2D1CACNA1BCACNB1CACNA1CSCN9A
SCHEMBL975371 0.89 MGLL (0.37) OPRD1MEN1KMT2ASCN9ALMNA
SCHEMBL975841 0.89 ACHE (0.41) MEN1KMT2ACCR5
SCHEMBL30961547 0.88 OPRD1 (0.43) OPRD1MEN1KMT2ASCN9ALMNA

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 OPRD1 144/4885CACNA2D1 2643/4885CACNA1B 1231/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885CACNA2D1 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.