SCHEMBL10133710

SCHEMBL10133710

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
NPY5R Q15761 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BAZ2B Q9UIF8 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP3 P42574 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IKBKB O14920 1/20 0.40

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
SCHEMBL13203799 1.00 MAPK14 (0.53) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL10133337 0.88 NPY5R (0.50) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL10113330 0.87 NPY5R (0.48) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL13203859 0.87 NPY5R (0.48) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL10114050 0.85 MAPK14 (0.53) MAPK14ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10113341 0.84 NPC1 (0.57) NPY5RALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL13203865 0.84 NPC1 (0.57) NPY5RALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL13203760 0.82 ALDH1A1 (0.70) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL10113215 0.82 ALDH1A1 (0.70) MAPK14NPY5RALDH1A1MAPTSMN1; SMN2
SCHEMBL10134431 0.81 ALDH1A1 (0.65) NPY5RALDH1A1MAPTSMN1; SMN2NPC1

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 7 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPK14 1392/4885NPY5R 1/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPK14 1407/4885NPY5R 1/4885ALDH1A1 4517/4885

“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.