SCHEMBL5044200

SCHEMBL5044200

C=C(C)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ncccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.51
MAPT P10636 11/20 0.46
NPSR1 Q6W5P4 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 3/20 0.45
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2740129 0.86 KDM4E (0.49) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL5045034 0.86 KDM4E (0.49) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL2740223 0.84 MAPT (0.59) SIRT1MAPTKDM4EALDH1A1GAA
SCHEMBL2624604 0.84 GLO1 (0.56) SIRT1MAPTKDM4EALDH1A1GAA
SCHEMBL2624486 0.83 SIRT1 (0.49) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL2740131 0.82 KDM4E (0.50) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL2740130 0.79 SIRT1 (0.65) SIRT1MAPTNPSR1TDP1TP53
SCHEMBL2740128 0.79 SLC40A1 (0.49) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL5020212 0.78 SLC40A1 (0.56) SIRT1MAPTNPSR1TDP1KDM4E
SCHEMBL2740226 0.77 CYP2C9 (0.60) MAPTNPSR1KDM4ETP53HTT

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-8304206-B2 Mass spectrometry assays for identifying compounds that activate deacetylases SIRTRIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090221020-A1 Mass Spectrometry Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC (US) 2009-09-03 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 (2 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SIRT1 1/4885MAPT 625/4885NPSR1 3305/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B SIRT1 271/4885MAPT 1946/4885NPSR1 1765/4885

“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.