SCHEMBL8402012

SCHEMBL8402012

C=C1CCC(=O)N1OC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.32

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
SCHEMBL17861182 0.98
SCHEMBL17447 0.87 MGLL (0.37) MGLL
SCHEMBL15371562 0.86 KMT2A (0.32) MGLL
SCHEMBL14615810 0.83 PARL (0.32) MGLL
SCHEMBL19704968 0.82 PSMB8 (0.32) MGLL
SCHEMBL14769177 0.82 MGLL (0.30) MGLL
SCHEMBL11993176 0.82 KDM4E (0.31) MGLL
SCHEMBL22549169 0.82 MGLL (0.30) MGLL
SCHEMBL12482068 0.82 GLA (0.36)
SCHEMBL13286374 0.81 MGLL (0.32) MGLL

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-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives CONCERT PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-20110166167-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-07-07 US disclosed
US-20110159305-A1 Intermediates And Methods For Forming Passivated Surfaces On Oxide Layers And Articles Produced Thereby APPLIED BIOSYSTEMS, LLC (US) 2011-06-30 US disclosed
US-20100311184-A1 AZO HETEROCYCLIC DYES AND THEIR BIOLOGICAL CONJUGATES AAT BIOQUEST, INC. (US) 2010-12-09 US disclosed
US-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
US-20100113589-A1 Deuterated darunavir CONCERT PHARMACCUTICALS, INC. (US) 2010-05-06 US disclosed
US-20100016547-A1 Glycosilated Peptide and Medicine Comprising It as an Effective Ingredient NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2010-01-21 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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 (7 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-20100016547-A1 Glycosilated Peptide and Medicine Comprising It as an Effective Ingredient GLP1R, VIP, IAPP MGLL 173/4885
US-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES STS, PRSS1, PRSS3 MGLL 2540/4885
US-20110166167-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GLP1R MGLL 651/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 MGLL 2841/4885
US-20100311184-A1 AZO HETEROCYCLIC DYES AND THEIR BIOLOGICAL CONJUGATES PAICS, DNTT, TK1 MGLL 4854/4885
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives HTRA1, PRSS8, PRSS1 MGLL 1754/4885
US-20100113589-A1 Deuterated darunavir SAMHD1, DUT, DNPEP MGLL 3872/4885

“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.