Sugi Predict

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SCHEMBL10114202

SCHEMBL10114202

C/C=C/CSc1cccc(SCCCNC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.40
▸ KMT2A Q03164 3/20 0.35
▸ MTNR1A P48039 5/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL17090152 0.86 NPY5R (0.32) NPY5RL3MBTL1CNR2
SCHEMBL13565701 0.83 CNR2 (0.31) NPY5RCNR2
SCHEMBL10114192 0.78 NPY5R (0.41) NPY5RKMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL10114182 0.73 NPY5R (0.43) NPY5RKMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL10114163 0.73 NPY5R (0.43) NPY5RKMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL10114161 0.73 NPY5R (0.43) NPY5RMTNR1AMTNR1BALDH1A1TP53
SCHEMBL10114197 0.71 GFER (0.43) NPY5RKMT2ATP53GFERMEN1
SCHEMBL10114194 0.71 KMT2A (0.47) NPY5RKMT2AALDH1A1HPGDCNR1
SCHEMBL10133219 0.71 MTNR1A (0.48) NPY5RMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL10113305 0.70 CYP2C19 (0.51) NPY5RKMT2AMTNR1AMTNR1BALDH1A1

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 NPY5R 1/4885KMT2A 2912/4885MTNR1A 191/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2768/4885MTNR1A 177/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2953/4885MTNR1A 205/4885

“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.