SCHEMBL10134102

SCHEMBL10134102

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
NPY5R Q15761 1/20 0.32
GRIA2 P42262 3/20 0.31
JAK1 P23458 1/20 0.30
POLB P06746 2/20 0.30
GAK O14976 1/20 0.30
ABL1 P00519 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
SCHEMBL10114730 1.00 TSHR (0.37) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL13204301 1.00 TSHR (0.37) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL14424161 0.87 NPY5R (0.45) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL13204150 0.87 NPY5R (0.45) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL10114350 0.87 NPY5R (0.45) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL10133397 0.87 NPY5R (0.45) TSHRMAPK1MAPTGSK3BNPY5R
SCHEMBL10133525 0.85 USP30 (0.33)
SCHEMBL10115899 0.85 USP30 (0.33)
SCHEMBL10114758 0.84 SHMT2 (0.39) TSHRMAPTGSK3BNPY5RGRIA2
SCHEMBL14424176 0.84 SHMT2 (0.39) TSHRMAPTGSK3BNPY5RGRIA2

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 TSHR 189/4885MAPK1 1345/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 173/4885MAPK1 1323/4885MAPT 3683/4885

“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.