Sugi Predict

Sugi Predict / Compounds / SCHEMBL977313

SCHEMBL977313

SCHEMBL977313

CCOC(=O)c1ccc(F)c(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ ACLY P53396 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL976064 0.87 ACLY (0.43) LMNAALDH1A1KDM4EMAPTACLY
SCHEMBL978430 0.85 HPGD (0.38) S1PR1S1PR3TLR4LMNAMAPT
SCHEMBL974346 0.82 CCR1 (0.36) S1PR3WDR5SCN9AKMT2A
SCHEMBL977311 0.78 ALDH1A1 (0.38) S1PR1S1PR3TLR4WDR5LMNA
SCHEMBL974851 0.77 SLC6A9 (0.38) ALDH1A1KDM4ESCN9AHPGDSLC6A9
SCHEMBL978428 0.77 SCN9A (0.39) LMNAALDH1A1KDM4EMAPTSCN9A
SCHEMBL977022 0.76 SLC6A9 (0.37) LMNAALDH1A1KDM4EMAPTSCN9A
SCHEMBL977039 0.76 NHERF1 (0.40) LMNAALDH1A1MAPTSCN9AHPGD
SCHEMBL977289 0.76 CA12 (0.37) LMNAMAPTSCN9ASLC6A9
SCHEMBL977293 0.76 CA12 (0.37) LMNAMAPTSCN9ASLC6A9

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 S1PR1 545/4885S1PR3 672/4885TLR4 3663/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B S1PR1 545/4885S1PR3 672/4885TLR4 3663/4885

“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.