Sugi Predict

Sugi Predict / Compounds / SCHEMBL977037

SCHEMBL977037

SCHEMBL977037

CCOC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Br)cc3)c3ccc(Br)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ NHERF1 O14745 1/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CACNA1A O00555 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNB1 Q02641 1/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL978429 0.91 SLC6A9 (0.36) MAPTOPRD1NPSR1TP53ALDH1A1
SCHEMBL974854 0.90 OPRD1 (0.37) OPRD1HTTKDM4EALDH1A1CCR5
SCHEMBL976537 0.90 ALOX15 (0.38) MAPTOPRD1NPSR1TP53KMT2A
SCHEMBL977048 0.89 ELANE (0.37) MAPTOPRD1NPSR1ELANECYP3A4
SCHEMBL977213 0.87 OPRD1 (0.33) OPRD1NPSR1KDM4EIGF1RALDH1A1
SCHEMBL30961574 0.86 OPRD1 (0.47) MAPTOPRD1NPSR1KMT2ACACNA1A
SCHEMBL30961524 0.86 OPRD1 (0.47) MAPTOPRD1NPSR1KMT2ACACNA1A
SCHEMBL30961564 0.86 OPRD1 (0.47) MAPTOPRD1NPSR1KMT2ACACNA1A
SCHEMBL979321 0.83 OPRD1 (0.35) OPRD1CYP2C9KDM4EALDH1A1
SCHEMBL975371 0.83 MGLL (0.37) MAPTOPRD1HTTKDM4EKMT2A

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 MAPT 4790/4885NHERF1 855/4885OPRD1 144/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MAPT 4790/4885NHERF1 855/4885OPRD1 144/4885

“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.