Sugi Predict

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SCHEMBL974346

SCHEMBL974346

CC[C@H](NC(=O)c1ccc(F)c(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ IDO1 P14902 6/20 0.34
▸ KCNH2 Q12809 6/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ HTT P42858 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ MAPK11 Q15759 3/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ MC4R P32245 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL977225 0.86 CCR1 (0.35) CCR1SCN9AIDO1KCNH2CYP2C9
SCHEMBL975115 0.86 CCR1 (0.40) CCR1
SCHEMBL976851 0.85 SCN9A (0.38) CCR1SCN9ASCN7ASCN5A
SCHEMBL977629 0.85 CCR1 (0.37) CCR1HTTCA12CA1CA9
SCHEMBL976727 0.84 CCR1 (0.36) CCR1SCN9AHTTCA12CA1
SCHEMBL975653 0.84 CCR1 (0.36) CCR1SCN9AWDR5KMT2AHTT
SCHEMBL976064 0.83 ACLY (0.43) SCN9AKMT2ASCN7ASCN5A
SCHEMBL976415 0.83 RHOC (0.36) CCR1CA12CA1CA9
SCHEMBL977313 0.82 S1PR1 (0.40) SCN9AWDR5KMT2AS1PR3
SCHEMBL976413 0.81 IDO1 (0.35) CCR1SCN9AIDO1KCNH2CYP2C9

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US 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 CCR1 1721/4885SCN9A 694/4885WDR5 2893/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR1 1721/4885SCN9A 694/4885WDR5 2893/4885

“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.