SCHEMBL10114847

SCHEMBL10114847

Cc1cc(C(F)(F)F)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.47
TYK2 P29597 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDR P35968 3/20 0.42
BRAF P15056 2/20 0.42
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ABL1 P00519 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14424629 1.00 NPY5R (0.49) NPY5RKMT2AMEN1TSHRTYK2
SCHEMBL10114143 0.84 NPY5R (0.53) NPY5RKMT2AMEN1ALDH1A1EPHX2
SCHEMBL12882810 0.84 NPY5R (0.53) NPY5RKMT2AMEN1ALDH1A1EPHX2
SCHEMBL10116019 0.83 EPHX2 (0.46) EPHX2NPC1RAB9A
SCHEMBL14424640 0.83 NPY5R (0.42) NPY5RKMT2AMEN1TSHRRAB9A
SCHEMBL10133784 0.83 NPY5R (0.42) NPY5RKMT2AMEN1TSHRRAB9A
SCHEMBL10114888 0.83 NPY5R (0.42) NPY5RKMT2AMEN1TSHRRAB9A
SCHEMBL10114901 0.83 KDM4E (0.62) KMT2AMEN1TSHRALDH1A1EPHX2
SCHEMBL14424377 0.83 KDM4E (0.62) KMT2AMEN1TSHRALDH1A1EPHX2
SCHEMBL10114953 0.81 NPY5R (0.53) NPY5RKMT2AMEN1ALDH1A1KDR

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 9 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-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 NPY5R 1/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2953/4885MEN1 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.