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SCHEMBL10116231

SCHEMBL10116231

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc(C)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CRHBP P24387 2/20 0.42
▸ CRHR2 Q13324 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL10116228 0.89 THRB (0.44) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL10116479 0.89 THRB (0.46) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL12882673 0.86 THRB (0.46) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL10114527 0.85 MAPT (0.52) THRBRXFP1KMT2AALDH1A1MEN1
SCHEMBL10116505 0.85 MAPT (0.52) THRBRXFP1KMT2AALDH1A1MEN1
SCHEMBL10133455 0.85 MAPT (0.52) THRBRXFP1KMT2AALDH1A1MEN1
SCHEMBL10133266 0.85 THRB (0.44) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL10116590 0.85 THRB (0.44) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL10116547 0.84 THRB (0.43) THRBRXFP1CRHBPCRHR2NPSR1
SCHEMBL13204918 0.84 THRB (0.43) THRBRXFP1CRHBPCRHR2NPSR1

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 THRB 414/4885RXFP1 54/4885CRHBP 238/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 417/4885RXFP1 53/4885CRHBP 256/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 409/4885RXFP1 54/4885CRHBP 247/4885

“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.