SCHEMBL10116696

SCHEMBL10116696

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC3CC3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.58
RECQL P46063 2/20 0.48
MAPT P10636 2/20 0.48
DGAT1 O75907 5/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL10116686 0.88 NR1H4 (0.55) NR1H4ALDH1A1CYP1A2KMT2ANPC1
SCHEMBL10116388 0.86 NR1H4 (0.58) NR1H4RECQLMAPTDGAT1ALDH1A1
SCHEMBL10116719 0.84 MAPT (0.48) NR1H4MAPTALDH1A1KMT2ARAB9A
SCHEMBL10116718 0.82 F2 (0.58) RECQLMAPTALDH1A1MAPK1KMT2A
SCHEMBL10116689 0.82 F2 (0.57) RECQLMAPTALDH1A1MAPK1KMT2A
SCHEMBL13565367 0.81 ACACA (0.40) NR1H4
SCHEMBL14424353 0.77 ALDH1A1 (0.47) NR1H4ALDH1A1KDM1AKMT2ATP53
SCHEMBL10114580 0.77 ALDH1A1 (0.47) NR1H4ALDH1A1KDM1AKMT2ATP53
SCHEMBL10116720 0.76 MCHR1 (0.43) NR1H4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL10115450 0.76 NR1H4 (0.46) NR1H4ALDH1A1CYP3A4CYP1A2CYP2C9

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 NR1H4 283/4885RECQL 4836/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NR1H4 311/4885RECQL 4854/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NR1H4 278/4885RECQL 4822/4885MAPT 3683/4885

“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.