SCHEMBL3605095

SCHEMBL3605095

O=C(O)CN(Cc1ccccn1)C(=O)c1nc(-c2ccccc2)oc1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.45
PPARG P37231 12/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAOB P27338 1/20 0.37
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14219122 0.87 PPARA (0.47) PPARAPPARGL3MBTL1
SCHEMBL3600282 0.87 PPARA (0.46) PPARAPPARGL3MBTL1ALDH1A1
SCHEMBL13547014 0.85 PPARA (0.47) PPARAPPARGL3MBTL1ALDH1A1NPSR1
SCHEMBL3609694 0.81 PPARA (0.55) PPARAPPARGL3MBTL1TSHR
SCHEMBL3619631 0.79 DGAT1 (0.48) PPARAPPARGL3MBTL1
SCHEMBL3615928 0.79 PPARG (0.40) PPARAPPARGL3MBTL1ALDH1A1TSHR
SCHEMBL3604902 0.78 PPARA (0.49) PPARAPPARGL3MBTL1ALDH1A1TSHR
SCHEMBL3613267 0.76 PPARA (0.48) PPARAPPARGL3MBTL1CYP2C9KCNH2
SCHEMBL3618601 0.76 ALDH1A1 (0.48) PPARAPPARGALDH1A1TSHRNPSR1
SCHEMBL3612881 0.76 PPARA (0.54) PPARAPPARGL3MBTL1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
EP-2104671-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS Mutabilis SA (FR) 2009-09-30 EP disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 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-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors CBR1, OXER1, CBR3 PPARA 2162/4885PPARG 1817/4885L3MBTL1 2972/4885

“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.