SCHEMBL3835002

SCHEMBL3835002

O=[N+]([O-])c1cccc(S(=O)(=O)OC2CO2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.67
WDR77 Q9BQA1 1/20 0.67
KMT2A Q03164 4/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
CA2 P00918 2/20 0.53
CA5A P35218 1/20 0.53
LMNA P02545 2/20 0.49
CA1 P00915 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 3/20 0.48
ACHE P22303 1/20 0.47
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46

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
SCHEMBL14123126 1.00 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19185361 0.89 PRMT5 (0.61) PRMT5WDR77KMT2AGAAHTT
SCHEMBL609294 0.83 PRMT5 (0.48) PRMT5WDR77KMT2AGAAHTT
SCHEMBL22054625 0.83 CA1 (0.46) PRMT5WDR77HTTCA2CA5A
SCHEMBL19469359 0.82 PRMT5 (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL336605 0.81 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL30301224 0.81 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29476299 0.81 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29481767 0.81 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL449928 0.81 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102206-B1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
CN-103202840-B Salts of 3-(3-amino-2-(r)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one JANSSEN PHARMACEUTICA NV 2015-02-11 CN disclosed
US-8703948-B2 Salts of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
CN-103202840-A Salts Of 3-(3-amino-2-(r)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one JANSSEN PHARMACEUTICA NV 2013-07-17 CN disclosed
EP-2102206-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-23 EP disclosed
US-20080176882-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
WO-2008067167-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-05 WO 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 (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-20080176882-A1 SALTS OF 3-(3-AMINO-2-(R)-HYDROXY-PROPYL)-1-(4-FLUORO-PHENYL)-8-(8-METHYL-NAPHTHALEN-1-YLMETHYL)-1,3,8-TRIAZA-SPIRO[4.5]DECAN-4-ONE HTR1A, NR3C1, HTR4 PRMT5 1531/4885WDR77 3111/4885KMT2A 923/4885

“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.