SCHEMBL10116388

SCHEMBL10116388

CC(C)(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 3/20 0.48
DGAT1 O75907 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
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
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 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
SCHEMBL10116385 0.88 NR1H4 (0.55) NR1H4MAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10116696 0.86 NR1H4 (0.58) NR1H4RECQLMAPTDGAT1ALDH1A1
SCHEMBL10116407 0.84 MAPT (0.48) NR1H4MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10116415 0.82 F2 (0.58) RECQLMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL10116384 0.82 F2 (0.57) RECQLMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL11936016 0.81 PPARA (0.40) NR1H4
SCHEMBL14424257 0.77 NPY5R (0.48) NR1H4ALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL10114586 0.77 NPY5R (0.48) NR1H4ALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL10116411 0.76 MCHR1 (0.43) MAPTALDH1A1SMN1; SMN2
SCHEMBL10115181 0.76 NR1H4 (0.46) NR1H4ALDH1A1KMT2AMEN1KDM1A

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.