SCHEMBL10114859

SCHEMBL10114859

CCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
NPY5R Q15761 1/20 0.49
ENPP3 O14638 4/20 0.48
ENPP1 P22413 3/20 0.48
ENPP2 Q13822 3/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 10/20 0.47
ELOVL6 Q9H5J4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL14627728 1.00 NPSR1 (0.50) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL10114143 0.89 NPY5R (0.53) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL12882810 0.89 NPY5R (0.53) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL10114226 0.84 L3MBTL1 (0.58) NPSR1ENPP3ENPP1ENPP2MAPT
SCHEMBL14424169 0.83 NPY5R (0.56) NPY5RENPP3ENPP1ENPP2MAPT
SCHEMBL10114528 0.83 NPY5R (0.56) NPY5RENPP3ENPP1ENPP2MAPT
SCHEMBL14424375 0.81 NPY5R (0.58) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL10114879 0.81 NPY5R (0.58) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL10114238 0.81 SMN1; SMN2 (0.56) NPSR1NPY5RENPP3ENPP1ENPP2
SCHEMBL10113370 0.81 NPY5R (0.72) NPY5RENPP3ENPP1ENPP2TP53

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-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 NPSR1 7/4885NPY5R 1/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPSR1 8/4885NPY5R 1/4885ENPP3 3225/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPSR1 7/4885NPY5R 1/4885ENPP3 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.