SCHEMBL10116403

SCHEMBL10116403

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
PTPN1 P18031 1/20 0.52
ENPP3 O14638 6/20 0.52
ENPP1 P22413 6/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
ENPP2 Q13822 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
STS P08842 1/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL10116405 0.92 KCNK3 (0.65) LMNAKCNK3KCNK9SMN1; SMN2NPSR1
SCHEMBL10116374 0.85 KMT2A (0.55) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10116418 0.85 HDAC8 (0.64) LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL10116240 0.84 MEN1 (0.55) LMNASMN1; SMN2NPSR1MAPTKMT2A
SCHEMBL10116705 0.83 PTPN1 (0.52) LMNAPTPN1ENPP3ENPP1KCNK3
SCHEMBL13565292 0.82 LMNA (0.53) LMNAPTPN1ENPP3ENPP1ENPP2
SCHEMBL10116381 0.82 MAPT (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10116380 0.81 LMNA (0.58) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10114615 0.81 LMNA (0.53) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10114519 0.80 KMT2A (0.60) LMNASMN1; SMN2NPSR1MAPTKMT2A

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 LMNA 1925/4885PTPN1 312/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885PTPN1 353/4885ENPP3 3225/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885PTPN1 325/4885ENPP3 3416/4885

“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.