SCHEMBL10116481

SCHEMBL10116481

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 3/20 0.44
IDH1 O75874 1/20 0.44
LMNA P02545 5/20 0.44
HPGD P15428 1/20 0.43
MAPK10 P53779 1/20 0.43
GRIA2 P42262 2/20 0.42
GRIA4 P48058 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
SCHEMBL10116616 0.84 LMNA (0.60) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL10116472 0.83 RAB9A (0.56) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL10116203 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL10116618 0.82 NPC1 (0.58) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL10116634 0.80 MEN1 (0.61) MEN1KMT2AHTTPOLBNPC1
SCHEMBL10116623 0.79 HDAC1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2CA12
SCHEMBL10116491 0.79 KDM4E (0.55) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL10116470 0.78 GRIA2 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL10116488 0.78 KMT2A (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10116617 0.77 GRIA2 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 ALDH1A1 4558/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885MEN1 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.