SCHEMBL977066

SCHEMBL977066

CNC(=O)[C@H](C)NC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
CCR2 P41597 1/20 0.33
SLC6A9 P48067 6/20 0.32
UTS2R Q9UKP6 3/20 0.32
KMT2A Q03164 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
FFAR2 O15552 1/20 0.32
CNR1 P21554 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN9A Q15858 2/20 0.31
P2RX7 Q99572 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
SCHEMBL977197 0.91 CTSS (0.36) ENPP2SLC6A9UTS2RCTSSCTSK
SCHEMBL975705 0.84 TP53 (0.36) CCR2SLC6A9FFAR2CNR1SCN9A
SCHEMBL975170 0.84 SLC6A9 (0.38) SLC6A9KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL974850 0.83 POLB (0.38) ENPP2SLC6A9UTS2RKMT2ACACNA2D1
SCHEMBL977765 0.81 CTSD (0.40) CCR2UTS2RKMT2ACACNA2D1CACNA1B
SCHEMBL977430 0.80 MEN1 (0.35) CCR2SLC6A9KMT2AFFAR2SCN9A
SCHEMBL977068 0.80 SCN9A (0.34) CCR2SLC6A9UTS2RSCN9AP2RX7
SCHEMBL976395 0.79 MEN1 (0.36) CCR2SLC6A9UTS2RKMT2AFFAR2
SCHEMBL974359 0.77 F2 (0.42) CCR2SLC6A9UTS2RKMT2AFFAR2
SCHEMBL976318 0.77 CCR2 (0.41) CCR2UTS2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ENPP2 554/4885CCR2 1287/4885SLC6A9 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.