SCHEMBL10115090

SCHEMBL10115090

CCCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
PPARA Q07869 4/20 0.54
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
RECQL P46063 1/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL13972896 0.98 EPHX1 (0.68) EPHX1PPARACA2CA1CA12
SCHEMBL10133161 0.93 CA1 (0.58) EPHX1PPARACA2CA1CA12
SCHEMBL5169582 0.83 CA1 (0.55) EPHX1PPARACA2CA1CA12
SCHEMBL12256385 0.81 EPHX1 (0.75) EPHX1PPARACA2CA1CA12
SCHEMBL12891809 0.81 EPHX1 (0.75) EPHX1PPARACA2CA1CA12
SCHEMBL1321109 0.80 EPHX1 (0.96) EPHX1PPARACA2CA1CA12
SCHEMBL1051783 0.79 EPHX1 (0.41) EPHX1PPARACA2CA1CA12
SCHEMBL13369989 0.78 CYP2C19 (0.48) EPHX1PPARACA2CA1CA12
SCHEMBL23862451 0.78 EPHX1 (0.46) EPHX1PPARAALDH1A1TSHRRELA
SCHEMBL1318327 0.78 EPHX1 (1.00) EPHX1PPARACA2CA1CA12

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-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
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 EPHX1 3910/4885PPARA 1639/4885CA2 1119/4885

“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.