SCHEMBL10114486

SCHEMBL10114486

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 17/20 0.76
NPC1 O15118 14/20 0.76
SMN1; SMN2 Q16637 6/20 0.76
NPSR1 Q6W5P4 1/20 0.76
PKM P14618 2/20 0.62
TP53 P04637 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL10116272 0.93 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL10116328 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL30926503 0.84 RAB9A (0.85) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL27181112 0.84 RAB9A (0.85) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL5174946 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL10116560 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL10116240 0.81 MEN1 (0.55) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL10116279 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL5170132 0.79 RAB9A (0.68) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL21780052 0.79 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NPSR1PKM

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 RAB9A 3699/4885NPC1 1435/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885SMN1; SMN2 2251/4885

“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.