SCHEMBL477698

SCHEMBL477698

NC(=O)c1cc(F)cc(F)c1F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.68
CES1 P23141 7/20 0.68
PARP1 P09874 5/20 0.46
DGAT1 O75907 1/20 0.44
ERN1 O75460 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KEAP1 Q14145 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LOX P28300 1/20 0.36
MAPK8 P45983 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
SCHEMBL9693312 0.81 CES2 (0.74) CES2CES1ERN1CA1CA2
SCHEMBL28058282 0.80 CES2 (0.43) CES2CES1PARP1DGAT1CA1
SCHEMBL16006488 0.80 CES2 (0.43) CES2CES1PARP1DGAT1CA1
SCHEMBL30424329 0.80 CES2 (0.54) CES2CES1PARP1DGAT1ERN1
SCHEMBL2308943 0.80 CES2 (0.48) CES2CES1PARP1DGAT1ERN1
SCHEMBL829400 0.79 DGAT1 (0.45) CES2CES1PARP1DGAT1CA1
SCHEMBL477822 0.79 CES2 (0.71) CES2CES1ERN1CA1CA2
SCHEMBL1421628 0.79 CES2 (0.71) CES2CES1ERN1CA1CA2
SCHEMBL28085635 0.79 DGAT1 (0.45) CES2CES1PARP1DGAT1CA1
SCHEMBL29088228 0.78 PARP1 (0.43) CES2CES1PARP1DGAT1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B CES2 2091/4885CES1 3708/4885PARP1 4538/4885
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 CES2 2502/4885CES1 2047/4885PARP1 1300/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CES2 2091/4885CES1 3708/4885PARP1 4538/4885

“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.