SCHEMBL10116583

SCHEMBL10116583

COc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MAPK1 P28482 2/20 0.61
ATM Q13315 1/20 0.60
LMNA P02545 2/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
STAT3 P40763 1/20 0.55
NAMPT P43490 1/20 0.53
ABCB1 P08183 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MCL1 Q07820 2/20 0.52
P4HTM Q9NXG6 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL10116492 0.89 NPC1 (0.65) GAAMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL10116496 0.83 SMN1; SMN2 (0.55) GAALMNAMAPTSMN1; SMN2TP53
SCHEMBL10116498 0.83 SMN1; SMN2 (0.63) ATMLMNAMAPTSMN1; SMN2TP53
SCHEMBL10116301 0.82 MAPT (0.62) GAAMAPK1ATMLMNAABCG2
SCHEMBL10116471 0.82 RAB9A (0.69) GAALMNAMAPTSMN1; SMN2TP53
SCHEMBL10116617 0.79 GRIA2 (0.56) ATMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10116493 0.79 HDAC1 (0.57) GAAMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL10116627 0.79 LMNA (0.56) LMNAMAPTSMN1; SMN2TP53NAMPT
SCHEMBL9190300 0.78 TP53 (0.73) GAAMAPK1ATMMAPTSMN1; SMN2
SCHEMBL28512754 0.77 ATM (0.70) GAAMAPK1ATMMAPTSMN1; SMN2

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-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 (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 GAA 3448/4885MAPK1 1371/4885ATM 4841/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885MAPK1 1345/4885ATM 4831/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885MAPK1 1323/4885ATM 4834/4885

“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.