SCHEMBL10116449

SCHEMBL10116449

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.45
BRAF P15056 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.43
ABL1 P00519 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL10116760 0.85 LMNA (0.45) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116345 0.84 NPC1 (0.58) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116366 0.82 MAPT (0.51) LMNASMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL10116196 0.82 TRPV1 (0.70) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116214 0.81 SMN1; SMN2 (0.58) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10116212 0.80 NPC1 (0.65) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116364 0.80 MAPT (0.53) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116360 0.79 TRPV1 (0.47) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10116240 0.78 MEN1 (0.55) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL11936050 0.78 HDAC3 (0.39) EPHX2HDAC3HDAC4HDAC1HDAC7

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 LMNA 1925/4885SMN1; SMN2 2213/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885SMN1; SMN2 2197/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885SMN1; SMN2 2251/4885MEN1 2926/4885

“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.