SCHEMBL10133752

SCHEMBL10133752

COc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.47
ACLY P53396 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MALT1 Q9UDY8 3/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KDR P35968 2/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL10114362 1.00 NPY5R (0.51) NPY5RSMN1; SMN2LMNAHTTPOLB
SCHEMBL10114355 0.90 POLB (0.58) NPY5RSMN1; SMN2LMNAHTTPOLB
SCHEMBL10133754 0.90 POLB (0.58) NPY5RSMN1; SMN2LMNAHTTPOLB
SCHEMBL14424168 0.88 NPY5R (0.55) NPY5RSMN1; SMN2LMNAHTTHPGD
SCHEMBL10114502 0.88 NPY5R (0.55) NPY5RSMN1; SMN2LMNAHTTHPGD
SCHEMBL10133753 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTHPGDACLY
SCHEMBL10114368 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTHPGDACLY
SCHEMBL14424172 0.86 NPY5R (0.53) NPY5RSMN1; SMN2LMNAKMT2ATP53
SCHEMBL10114536 0.86 NPY5R (0.53) NPY5RSMN1; SMN2LMNAKMT2ATP53
SCHEMBL10114755 0.85 POLB (0.49) SMN1; SMN2LMNAHTTPOLBHPGD

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 7 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-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-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-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 NPY5R 1/4885SMN1; SMN2 2213/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 2197/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 2251/4885LMNA 1857/4885

“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.