Sugi Predict

Sugi Predict / Compounds / SCHEMBL977322

SCHEMBL977322

SCHEMBL977322

COc1cc(C(=O)O)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.37
▸ SLC6A9 P48067 4/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CACNA2D1 P54289 2/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ CACNB1 Q02641 2/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ GPX4 P36969 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ ADRB1 P08588 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
SCHEMBL977235 0.91 SLC6A9 (0.36) RORCSLC6A9KMT2AHTTGPX4
SCHEMBL975245 0.89 SLC6A9 (0.39) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977115 0.87 F2 (0.42) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974409 0.86 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974203 0.86 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975565 0.86 SLC6A9 (0.36) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3404166 0.85 MEN1 (0.38) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL976313 0.85 HPGDS (0.37) KMT2AHTTGPX4ALDH1A1LMNA
SCHEMBL3404161 0.85 MEN1 (0.38) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL977372 0.85 OPRD1 (0.36) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C

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 RORC 2323/4885SLC6A9 2158/4885KMT2A 2003/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B RORC 2323/4885SLC6A9 2158/4885KMT2A 2003/4885

“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.