SCHEMBL6704839

SCHEMBL6704839

O=S(=O)(Oc1ccc2cc(Br)ccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2cc(Br)ccc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.39
ERN1 O75460 1/20 0.38
RXFP1 Q9HBX9 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
EPAS1 Q99814 1/20 0.35
HSD11B1 P28845 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL13233215 0.88 NCEH1 (0.48) NCEH1ERN1RXFP1LMNASMN1; SMN2
SCHEMBL1414936 0.85 ERN1 (0.51) NCEH1ERN1RXFP1LMNASMN1; SMN2
SCHEMBL7245579 0.82 CYP2A6 (0.38) LMNAHTR1AHTR1DHTR1BEPAS1
SCHEMBL3133132 0.82 ACHE (0.36) NCEH1ERN1RXFP1CYP2A6CA1
SCHEMBL31456219 0.81 HSD11B1 (0.45) NCEH1LMNASMN1; SMN2L3MBTL1HTR1A
SCHEMBL1195896 0.81 HSD11B1 (0.45) NCEH1LMNASMN1; SMN2L3MBTL1HTR1A
SCHEMBL1304036 0.80 ESR1 (0.43) HSD17B1HSD17B2CA1CA2
SCHEMBL6700942 0.79 PDE4A (0.42) NCEH1EPAS1HSD11B1CA1CA2
SCHEMBL29560409 0.78 MAPT (0.49) SMN1; SMN2L3MBTL1HTR1AHTR1DHTR1B
SCHEMBL635407 0.78 MAPT (0.49) SMN1; SMN2L3MBTL1HTR1AHTR1DHTR1B

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
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 US disclosed
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 US disclosed
US-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 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-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A NCEH1 656/4885ERN1 4015/4885RXFP1 283/4885
US-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS NCEH1 3192/4885ERN1 3426/4885RXFP1 4842/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR NCEH1 1263/4885ERN1 1054/4885RXFP1 3446/4885

“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.