SCHEMBL10133536

SCHEMBL10133536

Cc1c(CF)ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
GRIA2 P42262 5/20 0.36
NPY5R Q15761 1/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL13222447 0.83 CCR8 (0.42) CCR8GRIA2KMT2AGAAMEN1
SCHEMBL10133784 0.83 NPY5R (0.42) LMNARAB9AGRIA2NPY5RKMT2A
SCHEMBL10114888 0.83 NPY5R (0.42) LMNARAB9AGRIA2NPY5RKMT2A
SCHEMBL14424640 0.83 NPY5R (0.42) LMNARAB9AGRIA2NPY5RKMT2A
SCHEMBL10134451 0.81 GRIA2 (0.39) GRIA2NPY5RJAK1
SCHEMBL10114950 0.79 GSK3A (0.38) CCR8LMNARAB9AGRIA2GAA
SCHEMBL13204432 0.79 GSK3A (0.38) CCR8LMNARAB9AGRIA2GAA
SCHEMBL13204435 0.78 POLB (0.45) CCR8LMNARAB9AKMT2AGAA
SCHEMBL10114990 0.78 POLB (0.45) CCR8LMNARAB9AKMT2AGAA
SCHEMBL14424115 0.77 GRIA2 (0.40) CCR8LMNARAB9AGRIA2KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCR8 394/4885LMNA 2068/4885RAB9A 3651/4885

“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.