SCHEMBL6700942

SCHEMBL6700942

N#Cc1ccc2c(-c3c(OS(=O)(=O)C(F)(F)F)ccc4cc(C#N)ccc34)c(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
NCEH1 Q6PIU2 2/20 0.41
EPAS1 Q99814 8/20 0.39
VEGFA P15692 1/20 0.38
PTPN1 P18031 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PTPN2 P17706 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CA9 Q16790 1/20 0.36
AKR1C3 P42330 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1195854 0.84 PDE4A (0.47) PDE4APDE4CPDE4DNCEH1EPAS1
SCHEMBL1195899 0.83 HSD11B1 (0.45) PDE4APDE4CPDE4DEPAS1PTPN1
SCHEMBL6812108 0.80 SLC6A2 (0.44) PDE4APDE4CPDE4DPTPN1CA1
SCHEMBL7245579 0.79 CYP2A6 (0.38) EPAS1PTPN1CA1CA2CA9
SCHEMBL6704839 0.79 NCEH1 (0.39) NCEH1EPAS1CA1CA2HSD11B1
SCHEMBL5728291 0.79 EPAS1 (0.45) PDE4APDE4CPDE4DEPAS1VEGFA
SCHEMBL21723413 0.79 SLC22A12 (0.41) PDE4APDE4CPDE4DEPAS1VEGFA
SCHEMBL31245789 0.79 SLC22A12 (0.41) PDE4APDE4CPDE4DEPAS1VEGFA
SCHEMBL16179448 0.77 MRGPRX4 (0.42) PDE4APDE4CPDE4DEPAS1VEGFA
SCHEMBL1738137 0.77 TRPV4 (0.54) PDE4APDE4CPDE4DEPAS1VEGFA

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 5 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-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 PDE4A 1788/4885PDE4C 2115/4885PDE4D 2815/4885
US-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS PDE4A 1240/4885PDE4C 768/4885PDE4D 1284/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR PDE4A 1077/4885PDE4C 1500/4885PDE4D 2372/4885

“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.