SCHEMBL10116705

SCHEMBL10116705

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
ENPP3 O14638 3/20 0.52
ENPP1 P22413 3/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ENPP2 Q13822 2/20 0.50
HTT P42858 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
STS P08842 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL10116704 0.92 KCNK3 (0.65) KCNK3KCNK9LMNASMN1; SMN2NPSR1
SCHEMBL10116668 0.85 NPC1 (0.56) MAPTKDM4ELMNASMN1; SMN2NPSR1
SCHEMBL10116740 0.85 HDAC8 (0.64) MAPTKDM4ELMNASMN1; SMN2
SCHEMBL10116403 0.83 LMNA (0.56) PTPN1ENPP3ENPP1KCNK3KCNK9
SCHEMBL13565340 0.82 ENPP3 (0.50) PTPN1ENPP3ENPP1LMNASMN1; SMN2
SCHEMBL10116688 0.82 LMNA (0.48) MAPTKDM4ELMNASMN1; SMN2KMT2A
SCHEMBL10116675 0.81 LMNA (0.58) KDM4ELMNASMN1; SMN2NPSR1KMT2A
SCHEMBL10116661 0.81 LMNA (0.49) MAPTKDM4ELMNASMN1; SMN2KMT2A
SCHEMBL10116627 0.80 LMNA (0.56) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL10116638 0.80 KMT2A (0.60) MAPTLMNASMN1; SMN2NPSR1KMT2A

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 PTPN1 312/4885ENPP3 3334/4885ENPP1 3255/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTPN1 353/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTPN1 325/4885ENPP3 3416/4885ENPP1 3327/4885

“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.