Sugi Predict

Sugi Predict / Compounds / SCHEMBL977372

SCHEMBL977372

SCHEMBL977372

COc1ccc(C(c2ccc(OC)cc2)N2CC(N(c3cc(F)cc(C(=O)O)c3)S(C)(=O)=O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CACNA2D1 P54289 3/20 0.35
▸ CACNB1 Q02641 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ CACNA1C Q13936 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1A O00555 1/20 0.35
▸ TAS2R14 Q9NYV8 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ CA1 P00915 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
SCHEMBL977229 0.91 OPRD1 (0.35) OPRD1MGLLCACNA2D1CACNB1ALDH1A1
SCHEMBL975841 0.90 ACHE (0.41) CCR5KMT2A
SCHEMBL978279 0.89 OPRD1 (0.34) OPRD1OPRM1CACNA2D1CACNB1ALDH1A1
SCHEMBL974203 0.88 SLC6A9 (0.38) OPRD1OPRM1CACNA2D1CACNB1CACNA1B
SCHEMBL977213 0.88 OPRD1 (0.33) OPRD1ALDH1A1GAALMNACYP2D6
SCHEMBL974854 0.88 OPRD1 (0.37) OPRD1OPRM1MGLLALDH1A1GAA
SCHEMBL975366 0.87 KCNH2 (0.36) OPRD1OPRM1CACNA2D1CACNB1CACNA1B
SCHEMBL979149 0.86 EPHX2 (0.37) OPRD1MGLLALDH1A1CYP2C9SCN9A
SCHEMBL977101 0.85 HPGDS (0.39) MGLLALDH1A1GAALMNAMAPT
SCHEMBL977322 0.85 RORC (0.37) OPRD1OPRM1CACNA2D1CACNB1ALDH1A1

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 OPRD1 144/4885OPRM1 619/4885MGLL 4653/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885OPRM1 619/4885MGLL 4653/4885

“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.