SCHEMBL3671656

SCHEMBL3671656

Cc1ccc2[nH]c3c(c2c1)CCC3C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 11/20 0.85
SIRT2 Q8IXJ6 4/20 0.67
RECQL P46063 1/20 0.67
GAA P10253 2/20 0.50
CASP6 P55212 1/20 0.50
KIF11 P52732 2/20 0.48
CDKN1A P38936 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT3 Q9NTG7 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL1872225 0.92 SIRT1 (1.00) SIRT1SIRT2RECQLGAACASP6
SCHEMBL16266029 0.88 SIRT1 (0.85) SIRT1SIRT2RECQLGAACASP6
SCHEMBL3673946 0.83 SIRT1 (0.78) SIRT1SIRT2KDM4ELMNAMAPT
SCHEMBL29141442 0.80 SIRT1 (0.60) SIRT1SIRT2RECQLGAACASP6
SCHEMBL29915361 0.80 SIRT1 (1.00) SIRT1SIRT2RECQLGAACASP6
SCHEMBL25147653 0.80 SIRT1 (0.60) SIRT1SIRT2RECQLGAACASP6
SCHEMBL8244015 0.80 SIRT1 (1.00) SIRT1SIRT2RECQLGAACASP6
SCHEMBL30762321 0.80 SIRT1 (0.60) SIRT1SIRT2RECQLGAACASP6
SCHEMBL30762323 0.80 SIRT1 (0.60) SIRT1SIRT2RECQLGAACASP6
SCHEMBL1870145 0.80 SIRT1 (0.76) SIRT1SIRT2KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113903-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2016-04-28 US disclosed
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-19 US disclosed
US-20090306168-A1 SirT Inhibitors That Bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090022694-A1 SIRT1 INHIBITION ELIXIR PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders ELIXIR PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20050256181-A1 Treating a viral disorder ELIXIR PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20050209300-A1 Methods of treating a disorder IPSOL AG (LI) 2005-09-22 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 (8 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-20160113903-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885RECQL 638/4885
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders SIRT3, SIRT1, SIRT2 SIRT1 2/4885SIRT2 3/4885RECQL 459/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885RECQL 1047/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885RECQL 2804/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885RECQL 638/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 SIRT1 2717/4885SIRT2 3170/4885RECQL 354/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885RECQL 638/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 SIRT1 1460/4885SIRT2 2707/4885RECQL 152/4885

“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.