SCHEMBL977631

SCHEMBL977631

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)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
BACE1 P56817 11/20 0.33
F2 P00734 2/20 0.32
DDR1 Q08345 1/20 0.32
APP P05067 1/20 0.32
PHGDH O43175 1/20 0.31
CCR2 P41597 1/20 0.31
TBXA2R P21731 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL977440 0.92 PSEN1 (0.34) BACE1F2PHGDH
SCHEMBL977291 0.90 F2 (0.35) BACE1F2DDR1
SCHEMBL975683 0.89 CTSD (0.37) MAPTMAPK1ATMBACE1CCR2
SCHEMBL977151 0.89 ERAP1 (0.37) BACE1F2TBXA2R
SCHEMBL974838 0.88 F2 (0.34) BACE1F2CCR2TBXA2R
SCHEMBL974739 0.88 F2 (0.34) BACE1F2CCR2TBXA2R
SCHEMBL977430 0.87 MEN1 (0.35) BACE1F2CCR2
SCHEMBL3401743 0.85 BACE1 (0.37) BACE1F2
SCHEMBL3405699 0.84 BACE1 (0.41) BACE1F2UTS2R
SCHEMBL977862 0.83 F2 (0.35) MAPTF2DDR1

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
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

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 4790/4885MAPK1 3509/4885ATM 3498/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MAPT 4790/4885MAPK1 3509/4885ATM 3498/4885

“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.