Sugi Predict

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SCHEMBL975275

SCHEMBL975275

COC(=O)c1cc(Cl)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPX4 P36969 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ OPRD1 P41143 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ IDH1 O75874 1/20 0.34

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
SCHEMBL975711 0.92 SLC6A9 (0.37) SLC6A9ATMMAPTALDH1A1MEN1
SCHEMBL977237 0.92 SLC6A9 (0.37) SLC6A9ATMMAPTALDH1A1MEN1
SCHEMBL977022 0.92 SLC6A9 (0.37) SLC6A9ATMMAPTALDH1A1MEN1
SCHEMBL976058 0.89 ATM (0.38) SLC6A9ATMCNR1
SCHEMBL979165 0.89 SLC6A9 (0.36) SLC6A9ATMMAPTALDH1A1MEN1
SCHEMBL975244 0.89 WDR5 (0.44) SLC6A9MEN1KMT2AGPX4CNR1
SCHEMBL975372 0.84 KDM4E (0.41) ATMMAPTALDH1A1MEN1KMT2A
SCHEMBL976402 0.84 CCKBR (0.38) SLC6A9CNR1
SCHEMBL27965451 0.84 SLC6A9 (0.36) SLC6A9ATMALDH1A1KMT2AGPX4
SCHEMBL976400 0.84 CCKBR (0.38) SLC6A9CNR1

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 SLC6A9 2158/4885ATM 3498/4885MAPT 4790/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885ATM 3498/4885MAPT 4790/4885

“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.