Sugi Predict

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SCHEMBL10113277

SCHEMBL10113277

CCCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.47
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ENPP3 O14638 2/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL13203812 1.00 NPY5R (0.47) NPY5RKMT2ASMN1; SMN2HTTLMNA
SCHEMBL14418416 0.89 KMT2A (0.43) KMT2ASMN1; SMN2HTTENPP3ENPP1
SCHEMBL10114066 0.86 KMT2A (0.41) KMT2ASMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL13203809 0.86 KMT2A (0.53) NPY5RKMT2ASMN1; SMN2HTTLMNA
SCHEMBL10113294 0.86 KMT2A (0.53) NPY5RKMT2ASMN1; SMN2HTTLMNA
SCHEMBL10113299 0.83 NPY5R (0.52) NPY5RKMT2AENPP3ENPP1ENPP2
SCHEMBL13565488 0.83 CNR2 (0.40) NPY5RCNR1CNR2
SCHEMBL17089958 0.83 CNR2 (0.40) NPY5RCNR1CNR2
SCHEMBL13203814 0.83 NPY5R (0.52) NPY5RKMT2AENPP3ENPP1ENPP2
SCHEMBL13203804 0.83 ALDH1A1 (0.51) NPY5RKMT2ASMN1; SMN2HTTLMNA

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 8 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — 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 (2 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 NPY5R 1/4885KMT2A 2768/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 2953/4885SMN1; SMN2 2251/4885

“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.