SCHEMBL10116503

SCHEMBL10116503

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
PTBP1 P26599 1/20 0.54
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL10116468 0.85 KMT2A (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116477 0.85 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116494 0.84 NPC1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10116458 0.84 GRIA4 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116566 0.84 HPGD (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116568 0.82 HPGD (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116221 0.82 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL3995588 0.82 CTPS1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL10116618 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10116677 0.81 HPGD (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 ADORA3 796/4885ADORA2A 1321/4885ADORA2B 1209/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ADORA3 781/4885ADORA2A 1330/4885ADORA2B 1262/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ADORA3 798/4885ADORA2A 1307/4885ADORA2B 1179/4885

“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.