SCHEMBL10114543

SCHEMBL10114543

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 12/20 0.51
ENPP1 P22413 12/20 0.51
NPY5R Q15761 1/20 0.50
ENPP2 Q13822 8/20 0.49
POLB P06746 1/20 0.48
STS P08842 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL14424758 1.00 ENPP3 (0.51) ENPP3ENPP1NPY5RENPP2POLB
SCHEMBL14424345 0.99 ENPP3 (0.53) ENPP3ENPP1NPY5RENPP2POLB
SCHEMBL10114561 0.99 ENPP3 (0.53) ENPP3ENPP1NPY5RENPP2POLB
SCHEMBL14424349 0.90 NPY5R (0.48) ENPP3ENPP1NPY5RENPP2STS
SCHEMBL10114594 0.90 NPY5R (0.48) ENPP3ENPP1NPY5RENPP2STS
SCHEMBL13204436 0.87 POLB (0.47) NPY5RPOLBLMNA
SCHEMBL10114992 0.87 POLB (0.47) NPY5RPOLBLMNA
SCHEMBL14424621 0.87 LMNA (0.60) ENPP3ENPP1NPY5RENPP2STS
SCHEMBL10114575 0.87 LMNA (0.60) ENPP3ENPP1NPY5RENPP2STS
SCHEMBL10114590 0.86 NPY5R (0.46) ENPP3ENPP1NPY5RENPP2STS

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 9 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

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 3255/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3225/4885ENPP1 3059/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3416/4885ENPP1 3327/4885NPY5R 1/4885

“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.