SCHEMBL977197

SCHEMBL977197

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC6A9 P48067 7/20 0.33
P2RX3 P56373 2/20 0.33
UTS2R Q9UKP6 4/20 0.33
ENPP2 Q13822 1/20 0.33
CNR1 P21554 2/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN9A Q15858 1/20 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
SCHEMBL977066 0.91 ENPP2 (0.34) CTSSCTSKSLC6A9UTS2RENPP2
SCHEMBL975170 0.85 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974850 0.84 POLB (0.38) SLC6A9UTS2RENPP2CACNA2D1CACNA1B
SCHEMBL977174 0.84 SCN9A (0.35) CTSSCTSKSLC6A9CNR1SCN9A
SCHEMBL976386 0.81 CTSD (0.39) UTS2RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL976518 0.81 CTSD (0.39) UTS2RCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL974739 0.80 F2 (0.34) SLC6A9
SCHEMBL974838 0.80 F2 (0.34) SLC6A9
SCHEMBL977199 0.80 KDM4E (0.36) SLC6A9P2RX3UTS2RSCN9AP2RX7
SCHEMBL976966 0.78 F2 (0.35) SLC6A9UTS2RCNR1CACNA2D1CACNA1B

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 CTSS 2065/4885CTSK 2060/4885SLC6A9 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.