Sugi Predict

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SCHEMBL977039

SCHEMBL977039

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.40
▸ HPGD P15428 3/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ TRPV1 Q8NER1 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 0.91 HPGD (0.38) HPGDCA1CA2SCN9AOPRD1
SCHEMBL974855 0.90 HPGD (0.38) HPGDCA1CA2SCN9ASMN1; SMN2
SCHEMBL976538 0.90 BCHE (0.38) HPGDCA1CA2SCN9AOPRD1
SCHEMBL977049 0.89 SCN9A (0.39) HPGDCA1CA2SCN9ASMN1; SMN2
SCHEMBL977212 0.87 MEN1 (0.36) CA1CA2SCN9ANPSR1MEN1
SCHEMBL979322 0.85 TCF4 (0.37) HPGDSCN9AOPRD1ALDH1A1MEN1
SCHEMBL975372 0.85 KDM4E (0.41) HPGDCA1CA2SCN9ASMN1; SMN2
SCHEMBL977022 0.83 SLC6A9 (0.37) HPGDSCN9AOPRD1MAPTALDH1A1
SCHEMBL977867 0.83 GRIA2 (0.35) CA1CA2SCN9ASMN1; SMN2ALDH1A1
SCHEMBL977865 0.83 GRIA2 (0.35) CA1CA2SCN9ASMN1; SMN2ALDH1A1

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 NHERF1 855/4885HPGD 1612/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B NHERF1 855/4885HPGD 1612/4885CA1 4724/4885

“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.