SCHEMBL10116692

SCHEMBL10116692

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.60
DEGS1 O15121 4/20 0.55
TRPV1 Q8NER1 2/20 0.51
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTGES O14684 1/20 0.47
F10 P00742 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
PPARA Q07869 1/20 0.45
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL10116377 0.85 PTGS1 (0.62) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL10116572 0.84 TRPV1 (0.62) PTGS1TRPV1NPC1RAB9AKCNQ3
SCHEMBL13565366 0.79 PPARA (0.49) GAANPC1RAB9APPARA
SCHEMBL10116585 0.78 ALDH1A1 (0.53) TRPV1GAAPPARATRPV4
SCHEMBL10116605 0.78 MAPT (0.60) PTGS1GAANPC1RAB9A
SCHEMBL10116759 0.76 PTK2 (0.45) DEGS1TRPV1GAANPC1RAB9A
SCHEMBL17184836 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL1621494 0.76 RAB9A (0.52) PTGS1DEGS1GAANPC1RAB9A
SCHEMBL30643217 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL17894101 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1

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
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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R PTGS1 3736/4885DEGS1 2544/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTGS1 3819/4885DEGS1 2893/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTGS1 3826/4885DEGS1 2562/4885TRPV1 795/4885

“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.