SCHEMBL3613370

SCHEMBL3613370

Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
PPARA Q07869 8/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
RXRA P19793 1/20 0.39

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
SCHEMBL3620218 0.90 PPARG (0.47) PPARGPPARACYP2C9KCNH2LMNA
SCHEMBL3613267 0.88 PPARA (0.48) PPARGPPARAKDM4ECYP2C9KCNH2
SCHEMBL3609694 0.88 PPARA (0.55) PPARGPPARAKDM4ERAB9ATDP1
SCHEMBL3603476 0.86 PPARG (0.47) PPARGPPARAKDM4ECYP2C9KCNH2
SCHEMBL3620095 0.86 PPARG (0.47) PPARGPPARA
SCHEMBL3621244 0.85 PPARG (0.49) PPARGPPARAMAPTKDM4ECYP2C9
SCHEMBL3611069 0.83 PPARG (0.44) PPARGPPARAMAPTALDH1A1LMNA
SCHEMBL3832863 0.83 MAPT (0.46) PPARGPPARAMAPTKDM4ENR1H2
SCHEMBL3608497 0.83 PPARG (0.41) PPARGPPARAKDM4ECYP2C9ALDH1A1
SCHEMBL3604902 0.82 PPARA (0.49) PPARGPPARAMAPTKDM4ECYP2C9

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-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
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 PPARG 1817/4885PPARA 2162/4885MAPT 4710/4885

“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.