SCHEMBL10115543

SCHEMBL10115543

COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
BLM P54132 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 2/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 2/20 0.54
PTPN7 P35236 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
PAK1 Q13153 1/20 0.51
EPHX2 P34913 2/20 0.50

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
SCHEMBL10114690 0.90 EPHX2 (0.55) MAPTKMT2ASMN1; SMN2LMNACA12
SCHEMBL10115542 0.88 EPHX2 (0.68) CYP2C9CYP2C19EPHX2
SCHEMBL12882928 0.88 EPHX2 (0.53) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL12882021 0.87 LMNA (0.53) KMT2AMEN1LMNACA12CA1
SCHEMBL10115617 0.87 LMNA (0.53) MAPTKMT2AMEN1LMNACA12
SCHEMBL10115527 0.87 LMNA (0.66) MAPTKMT2ALMNAGAATSHR
SCHEMBL10115749 0.87 FAAH (0.50) MAPTSMN1; SMN2LMNAEPHX2NPSR1
SCHEMBL13222640 0.87 EPHX2 (0.49) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL10115767 0.86 FAAH (0.52) SMN1; SMN2LMNAEPHX2NPSR1
SCHEMBL10115758 0.86 MAPT (0.48) MAPTKMT2ASMN1; SMN2MEN1LMNA

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 MAPT 3602/4885KMT2A 2912/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885KMT2A 2768/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885KMT2A 2953/4885SMN1; 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.