SCHEMBL10114516

SCHEMBL10114516

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
BRD4 O60885 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.46
JAK2 O60674 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 1/20 0.46
PANK3 Q9H999 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL10116359 0.95 NPC1 (0.55) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10114519 0.93 KMT2A (0.60) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL10116374 0.88 KMT2A (0.55) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13566054 0.83 HPGD (0.51) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10116358 0.83 HTT (0.50) KMT2ASMN1; SMN2MEN1BRD4HTT
SCHEMBL10116376 0.82 HTR2B (0.56) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10114525 0.81 HTT (0.46) KMT2ARAB9ANPC1SMN1; SMN2BRD4
SCHEMBL10116240 0.80 MEN1 (0.55) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10116642 0.79 KMT2A (0.50) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10294133 0.78 RAB9A (0.54) KMT2ARAB9ANPC1SMN1; SMN2MEN1

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 KMT2A 2912/4885RAB9A 3699/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885RAB9A 3651/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885RAB9A 3820/4885NPC1 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.