SCHEMBL10133397

SCHEMBL10133397

CC1CN(c2c(F)c(F)c(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
JAK1 P23458 1/20 0.31
POLB P06746 2/20 0.31
GAK O14976 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL14424161 1.00 NPY5R (0.45) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL10114350 1.00 NPY5R (0.45) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL13204150 1.00 NPY5R (0.45) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL10114730 0.87 TSHR (0.37) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL13204301 0.87 TSHR (0.37) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL10134102 0.87 TSHR (0.37) NPY5RTSHRMAPK1MAPTGSK3B
SCHEMBL10115567 0.84 USP30 (0.33) NPY5RUSP30
SCHEMBL10133271 0.84 USP30 (0.33) NPY5RUSP30
SCHEMBL13972721 0.81 TSHR (0.43) TSHRMAPK1MAPTGSK3BBRAF
SCHEMBL10114332 0.80 NPY5R (0.47) NPY5RTSHRMAPTGSK3BBRAF

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 4 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-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

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 NPY5R 1/4885TSHR 189/4885MAPK1 1345/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885TSHR 173/4885MAPK1 1323/4885

“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.