SCHEMBL10114849

SCHEMBL10114849

CCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncsc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.53
IRAK4 Q9NWZ3 10/20 0.48
CHKA P35790 1/20 0.46
CHKB Q9Y259 1/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MAT2A P31153 1/20 0.42

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
SCHEMBL14424271 1.00 CHRM5 (0.53) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL10114877 0.93 CHRM5 (0.51) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL14424373 0.93 CHRM5 (0.51) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL14424265 0.90 CHRM5 (0.54) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL10114132 0.90 CHRM5 (0.54) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL13565995 0.83 IRAK4 (0.43) IRAK4UBE2MDCUN1D1
SCHEMBL17090186 0.83 IRAK4 (0.43) IRAK4UBE2MDCUN1D1
SCHEMBL13203868 0.82 CHRM5 (0.54) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL10113350 0.82 CHRM5 (0.54) CHRM5IRAK4CHKACHKBIKBKB
SCHEMBL10114822 0.82 CHRM5 (0.56) CHRM5

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 CHRM5 68/4885IRAK4 3822/4885CHKA 1241/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM5 66/4885IRAK4 3752/4885CHKA 1215/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM5 66/4885IRAK4 3753/4885CHKA 1200/4885

“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.