SCHEMBL10133265

SCHEMBL10133265

CC(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(CF)s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.43
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA3 P07451 5/20 0.42
CA4 P22748 5/20 0.42
CA6 P23280 5/20 0.42
CA5A P35218 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA13 Q8N1Q1 5/20 0.42
CA14 Q9ULX7 5/20 0.42
CA5B Q9Y2D0 5/20 0.42
KAT8 Q9H7Z6 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIA1 P42261 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10115540 0.83 PKM (0.61) CA1CA2KMT2AHSD17B10
SCHEMBL10113907 0.79 HDAC1 (0.64) KMT2A
SCHEMBL10115401 0.79 HDAC1 (0.53)
SCHEMBL10113751 0.73 ALDH1A1 (0.50) KMT2AHSD17B10ALDH1A1
SCHEMBL10115440 0.70 GRIA1 (0.47) GRIA1ALDH1A1
SCHEMBL10113688 0.69 HDAC3 (0.56) KMT2AGRIA1ALDH1A1
SCHEMBL10115499 0.69 GRIA1 (0.46) KMT2AGRIA1ALDH1A1
SCHEMBL10115442 0.69 GRIA1 (0.46) GRIA1ALDH1A1
SCHEMBL10115297 0.69 HDAC6 (0.67) ALDH1A1
SCHEMBL10115503 0.68 ALDH1A1 (0.49) GRIA1ALDH1A1

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 GLS 2329/4885CA12 1954/4885CA1 1931/4885

“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.