SCHEMBL10112883

SCHEMBL10112883

CCCCc1ccc(C(=O)Nc2ccc(NS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
TRPV1 Q8NER1 5/20 0.64
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
GALR3 O60755 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.53
PLK1 P53350 1/20 0.52
BDKRB2 P30411 1/20 0.52
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL10803341 1.00 KDM4E (0.75) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10116465 0.92 KDM4E (0.63) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10113152 0.88 KDM4E (0.65) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10113143 0.87 KDM4E (0.58) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10116463 0.87 MAPT (0.56) KDM4ETRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL10113174 0.85 KDM4E (0.58) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10113168 0.83 NPC1 (0.58) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10112986 0.83 STING1 (0.56) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10113160 0.82 KDM4E (0.75) KDM4ETRPV1NPC1RAB9AGALR3
SCHEMBL10803924 0.82 HPGD (0.75) KDM4ETRPV1NPC1RAB9AGALR3

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 12 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
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP 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 KDM4E 1668/4885TRPV1 774/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885TRPV1 534/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885TRPV1 795/4885NPC1 1462/4885

“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.