SCHEMBL978429

SCHEMBL978429

CCOC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
OPRD1 P41143 2/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
OPRM1 P35372 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNA7 P36544 1/20 0.34
CCR5 P51681 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
TLR4 O00206 1/20 0.34

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
SCHEMBL977037 0.91 MAPT (0.36) ALDH1A1MAPTOPRD1CACNA2D1CACNB1
SCHEMBL974854 0.90 OPRD1 (0.37) ALDH1A1OPRD1OPRM1HPGDCCR5
SCHEMBL976537 0.90 ALOX15 (0.38) SLC6A9MAPTOPRD1POLBNPSR1
SCHEMBL977021 0.90 SLC6A9 (0.36) SLC6A9MAPTOPRD1CACNA2D1CACNA1B
SCHEMBL977048 0.89 ELANE (0.37) MAPTOPRD1POLBNPSR1KMT2A
SCHEMBL977291 0.88 F2 (0.35) ALDH1A1SMN1; SMN2CCR5KMT2AMEN1
SCHEMBL2912813 0.87 LMNA (0.41) SLC6A9ALDH1A1MAPTOPRD1CACNA2D1
SCHEMBL974203 0.87 SLC6A9 (0.38) SLC6A9OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL30961574 0.86 OPRD1 (0.47) SLC6A9MAPTOPRD1CACNA2D1CACNB1
SCHEMBL30961524 0.86 OPRD1 (0.47) SLC6A9MAPTOPRD1CACNA2D1CACNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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 (3 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 SLC6A9 2158/4885S1PR1 545/4885S1PR3 672/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885S1PR1 545/4885S1PR3 672/4885
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S SLC6A9 100/4885S1PR1 235/4885S1PR3 216/4885

“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.