SCHEMBL10114512

SCHEMBL10114512

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.64
NR1H4 Q96RI1 7/20 0.64
PPARA Q07869 6/20 0.61
PPARG P37231 3/20 0.61
LSS P48449 1/20 0.60
PPARD Q03181 1/20 0.56
MAPK14 Q16539 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NAMPT P43490 1/20 0.52
SCN3A Q9NY46 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL11935307 0.84 RORC (0.51) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL10116639 0.84 PPARA (0.67) EPHX2NR1H4PPARAPPARGLSS
SCHEMBL10116353 0.83 EPHX2 (0.58) EPHX2NR1H4PPARGLMNAMAPT
SCHEMBL11935291 0.83 FFAR1 (0.53) PPARAPPARGPPARDCA1CA2
SCHEMBL10114489 0.83 TRPV1 (0.68) CA1CA2MEN1MAPTKMT2A
SCHEMBL13947580 0.78 LSS (0.72) EPHX2NR1H4PPARAPPARGLSS
SCHEMBL12010898 0.78 MAPT (0.80) PPARALSSMAPK14CA2NAMPT
SCHEMBL12619647 0.78 EPHX2 (1.00) EPHX2NR1H4PPARGCA1CA2
SCHEMBL3455877 0.77 LSS (0.69) EPHX2NR1H4PPARAPPARGLSS
SCHEMBL20477562 0.77 L3MBTL1 (0.69) EPHX2PPARAPPARGLSSMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885NR1H4 311/4885PPARA 1639/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885NR1H4 278/4885PPARA 1452/4885

“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.