SCHEMBL10114575

SCHEMBL10114575

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
NPY5R Q15761 1/20 0.57
PTPN1 P18031 1/20 0.56
ENPP3 O14638 7/20 0.55
ENPP1 P22413 7/20 0.55
ENPP2 Q13822 4/20 0.53
HPGD P15428 1/20 0.52
STS P08842 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 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
SCHEMBL14424621 1.00 LMNA (0.60) LMNANPY5RPTPN1ENPP3ENPP1
SCHEMBL14424354 0.92 SMN1; SMN2 (0.52) LMNANPY5RPTPN1ENPP3ENPP1
SCHEMBL10114583 0.92 SMN1; SMN2 (0.52) LMNANPY5RPTPN1ENPP3ENPP1
SCHEMBL10114550 0.91 LMNA (0.62) LMNANPY5RHPGDSMN1; SMN2MEN1
SCHEMBL14424790 0.91 LMNA (0.62) LMNANPY5RHPGDSMN1; SMN2MEN1
SCHEMBL14424628 0.90 ALDH1A1 (0.56) LMNANPY5RHPGDHTTSMN1; SMN2
SCHEMBL10114576 0.90 ALDH1A1 (0.56) LMNANPY5RHPGDHTTSMN1; SMN2
SCHEMBL10114402 0.90 NPY5R (0.57) LMNANPY5RENPP3ENPP1NPSR1
SCHEMBL10114303 0.90 NPY5R (0.57) LMNANPY5RENPP3ENPP1ENPP2
SCHEMBL10134439 0.90 NPY5R (0.57) LMNANPY5RENPP3ENPP1NPSR1

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 10 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-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 1925/4885NPY5R 1/4885PTPN1 312/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885NPY5R 1/4885PTPN1 353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885NPY5R 1/4885PTPN1 325/4885

“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.