Sugi Predict

Sugi Predict / Compounds / SCHEMBL977151

SCHEMBL977151

SCHEMBL977151

C[C@H](NC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.37
▸ SLC6A9 P48067 3/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ BACE1 P56817 8/20 0.34
▸ F2 P00734 2/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ BACE2 Q9Y5Z0 2/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ GPR139 Q6DWJ6 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
SCHEMBL974739 0.92 F2 (0.34) SLC6A9CA1BACE1F2BACE2
SCHEMBL974838 0.92 F2 (0.34) SLC6A9CA1BACE1F2BACE2
SCHEMBL976398 0.92 SLC6A9 (0.38) SLC6A9CA1CA2BACE1F2
SCHEMBL977430 0.92 MEN1 (0.35) SLC6A9BACE1F2BACE2CCR1
SCHEMBL977440 0.92 PSEN1 (0.34) SLC6A9BACE1F2BACE2CCR1
SCHEMBL977864 0.91 BACE1 (0.34) CA1CA2BACE1BACE2
SCHEMBL975572 0.90 F2 (0.43) ERAP1SLC6A9CA1CA2BACE1
SCHEMBL979116 0.90 SLC6A9 (0.37) SLC6A9CA1CA2BACE1F2
SCHEMBL977291 0.89 F2 (0.35) CA1CA2BACE1F2
SCHEMBL3401743 0.89 BACE1 (0.37) BACE1F2BACE2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US 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
WO-2010146299-A1 AZETIDINE-DERIVED ESTERS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS CANNABINOID RECEPTOR MODULATORS SANOFI-AVENTIS (FR) 2010-12-23 — — WO 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 ERAP1 1584/4885SLC6A9 2158/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ERAP1 1584/4885SLC6A9 2158/4885CA1 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.