SCHEMBL10116138

SCHEMBL10116138

Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c(C)c(C(=O)NC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.43
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CTDSP1 Q9GZU7 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10115792 0.88 CCR8 (0.44) CCR8MAPK1MEN1GAAKMT2A
SCHEMBL10116024 0.86 CCR8 (0.49) CCR8MAPK1MEN1GAAKMT2A
SCHEMBL10116134 0.84 CCR8 (0.43) CCR8MAPK1MEN1GAAKMT2A
SCHEMBL10114945 0.84 BRD4 (0.38) GAAKMT2AL3MBTL1LMNATHRB
SCHEMBL13204428 0.84 BRD4 (0.38) GAAKMT2AL3MBTL1LMNATHRB
SCHEMBL10116044 0.81 USP2 (0.48) CCR8KMT2AL3MBTL1USP2TSHR
SCHEMBL10116148 0.80 CCR8 (0.47) CCR8MAPK1MEN1GAAKMT2A
SCHEMBL17090544 0.79 MAPK14 (0.37) MEN1KMT2AL3MBTL1
SCHEMBL10116027 0.78 CCR8 (0.39) CCR8MAPK1MEN1GAAKMT2A
SCHEMBL10116135 0.78 CCR8 (0.40) CCR8KMT2ALMNAPOLBALOX15

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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CCR8 429/4885MAPK1 1371/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 394/4885MAPK1 1345/4885MEN1 2932/4885

“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.