SCHEMBL10114489

SCHEMBL10114489

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.68
TRPV4 Q9HBA0 3/20 0.61
PTGS1 P23219 2/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
RORC P51449 1/20 0.58
HDAC3 O15379 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KMT2A Q03164 1/20 0.51
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
ENPP2 Q13822 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10116240 0.91 MEN1 (0.55) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL10116194 0.88 MEN1 (0.65) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL10116339 0.87 MAPT (0.61) PTGS1NPC1RAB9AHDAC3HDAC8
SCHEMBL10114513 0.87 MEN1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10116235 0.87 MEN1 (0.52) TRPV1TRPV4NPC1RAB9ARORC
SCHEMBL10116238 0.85 KDM4E (0.65) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL10116183 0.85 NPC1 (0.67) NPC1RAB9ANPSR1MEN1CA1
SCHEMBL10116182 0.85 KMT2A (0.57) NPC1RAB9AHDAC8HDAC6MEN1
SCHEMBL10116297 0.84 ALDH1A1 (0.57) TRPV1TRPV4MEN1KMT2AMAPT
SCHEMBL10116191 0.84 NPC1 (0.66) NPC1RAB9ANPSR1MEN1CA1

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 TRPV1 774/4885TRPV4 1755/4885PTGS1 3736/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRPV1 534/4885TRPV4 1419/4885PTGS1 3819/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRPV1 795/4885TRPV4 1815/4885PTGS1 3826/4885

“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.