SCHEMBL977430

SCHEMBL977430

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A9 P48067 2/20 0.34
CCR2 P41597 1/20 0.34
F2 P00734 2/20 0.34
BACE1 P56817 7/20 0.33
GRIA2 P42262 1/20 0.33
SCN9A Q15858 2/20 0.32
CCR1 P32246 1/20 0.32
FFAR2 O15552 1/20 0.32
IDO1 P14902 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL976395 0.92 MEN1 (0.36) MEN1KMT2ASLC6A9CCR2F2
SCHEMBL976343 0.92 HTT (0.35) KMT2ABACE1GRIA2BACE2
SCHEMBL977151 0.92 ERAP1 (0.37) SLC6A9F2BACE1CCR1BACE2
SCHEMBL974359 0.91 F2 (0.42) MEN1KMT2ASLC6A9CCR2F2
SCHEMBL974739 0.91 F2 (0.34) MEN1KMT2ASLC6A9CCR2F2
SCHEMBL974838 0.91 F2 (0.34) MEN1KMT2ASLC6A9CCR2F2
SCHEMBL976318 0.90 CCR2 (0.41) MEN1KMT2ACCR2F2
SCHEMBL977440 0.90 PSEN1 (0.34) SLC6A9F2BACE1CCR1IDO1
SCHEMBL978463 0.90 KMT2A (0.35) MEN1KMT2ASLC6A9CCR2F2
SCHEMBL977765 0.88 CTSD (0.40) MEN1KMT2ACCR2BACE1CCR1

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP disclosed
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 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 (1 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-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MEN1 1111/4885KMT2A 2003/4885SLC6A9 2158/4885

“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.