SCHEMBL10115554

SCHEMBL10115554

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.49
ENPP1 P22413 3/20 0.49
ENPP2 Q13822 2/20 0.49
PTPN1 P18031 1/20 0.48
LMNA P02545 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
STS P08842 1/20 0.46
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL10115513 0.92 LMNA (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13565532 0.88 ENPP3 (0.50) ENPP3ENPP1ENPP2PTPN1LMNA
SCHEMBL10115488 0.87 RORC (0.50) ENPP2LMNAALDH1A1HTTMEN1
SCHEMBL10115276 0.84 LMNA (0.52) ENPP3ENPP1ENPP2PTPN1LMNA
SCHEMBL10115453 0.84 ALDH1A1 (0.49) LMNAALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL10115421 0.84 HDAC3 (0.53) LMNAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL10115426 0.83 KMT2A (0.59) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10115491 0.83 ALDH1A1 (0.47) LMNAALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL10115197 0.81 ALDH1A1 (0.68) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10113721 0.81 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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 ENPP3 3334/4885ENPP1 3255/4885ENPP2 546/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3225/4885ENPP1 3059/4885ENPP2 459/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3416/4885ENPP1 3327/4885ENPP2 547/4885

“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.