SCHEMBL10116196

SCHEMBL10116196

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.70
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
GALK1 P51570 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 1/20 0.58
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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 0.86 MEN1 (0.55) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL10114515 0.85 RAB9A (0.69) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL10114489 0.84 TRPV1 (0.68) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL10116469 0.84 TRPV1 (0.64) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL10114513 0.82 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL10116449 0.82 LMNA (0.48) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL4883678 0.81 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL4878398 0.81 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL16623348 0.81 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL14640504 0.81 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4

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 774/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRPV1 534/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRPV1 795/4885MEN1 2926/4885KMT2A 2953/4885

“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.