Sugi Predict

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SCHEMBL10114065

SCHEMBL10114065

CCCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.45
▸ CNR1 P21554 6/20 0.45
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ACACB O00763 4/20 0.42
▸ ABL1 P00519 3/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ CCR8 P51685 1/20 0.38

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
SCHEMBL10114073 0.90 ACACB (0.41) CNR2CNR1KMT2AACACBABL1
SCHEMBL12882584 0.89 ACACB (0.40) CNR2CNR1KMT2AMEN1ACACB
SCHEMBL10114072 0.87 MAPT (0.47) GAAKMT2AMEN1
SCHEMBL13203810 0.86 NPY5R (0.48) CNR2CNR1GAAKMT2AMEN1
SCHEMBL10113272 0.86 NPY5R (0.48) CNR2CNR1GAAKMT2AMEN1
SCHEMBL10113998 0.85 KMT2A (0.53) KMT2AACACB
SCHEMBL10114061 0.85 THRB (0.50) GAAMTNR1A
SCHEMBL13565592 0.84 CNR2 (0.46) CNR2CNR1GAAKMT2AMEN1
SCHEMBL10114066 0.82 KMT2A (0.41) CNR2CNR1KMT2AACACB
SCHEMBL10114110 0.82 ACACB (0.46) GAAKMT2AACACBACACA

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 11 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-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-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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR2 29/4885CNR1 13/4885GAA 3448/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 30/4885CNR1 15/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 29/4885CNR1 13/4885GAA 3472/4885

“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.