SCHEMBL994259

SCHEMBL994259

C=CCON[C@H]1C[C@H](C(=O)OCc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.41
TGM2 P21980 2/20 0.38
ELANE P08246 3/20 0.38
F2 P00734 2/20 0.38
CTSG P08311 1/20 0.38
FAAH O00519 1/20 0.38
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37
MMP2 P08253 1/20 0.36

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
SCHEMBL994257 1.00 FKBP1A (0.41) FKBP1ATGM2ELANEF2CTSG
SCHEMBL994256 1.00 FKBP1A (0.41) FKBP1ATGM2ELANEF2CTSG
SCHEMBL996833 0.85 FKBP1A (0.43) FKBP1AFAAHMMP2
SCHEMBL996836 0.85 FKBP1A (0.43) FKBP1AFAAHMMP2
SCHEMBL996831 0.85 FKBP1A (0.43) FKBP1AFAAHMMP2
SCHEMBL15107122 0.81 FAAH (0.37) FKBP1ATGM2FAAHMMP2
SCHEMBL997333 0.80 FKBP1A (0.42) FKBP1ATGM2ELANEF2CTSG
SCHEMBL997334 0.80 FKBP1A (0.42) FKBP1ATGM2ELANEF2CTSG
SCHEMBL997332 0.80 FKBP1A (0.42) FKBP1ATGM2ELANEF2CTSG
SCHEMBL13779749 0.79 FAAH (0.40) FKBP1AFAAH

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-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 US disclosed
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 US disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FKBP1A 1382/4885TGM2 1950/4885ELANE 61/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FKBP1A 1382/4885TGM2 1950/4885ELANE 61/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FKBP1A 1382/4885TGM2 1950/4885ELANE 61/4885

“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.