SCHEMBL10133581

SCHEMBL10133581

CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.65
RXFP1 Q9HBX9 1/20 0.63
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
DDIT3 P35638 1/20 0.56
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL10116225 1.00 THRB (0.65) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10134521 0.89 RXFP1 (0.66) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10116233 0.89 RXFP1 (0.66) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10116508 0.85 THRB (0.65) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10133287 0.85 THRB (0.65) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10114483 0.85 MAPT (0.52) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10133444 0.85 MAPT (0.52) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10116222 0.85 MAPT (0.52) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10134535 0.85 CRHBP (0.64) THRBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10116361 0.85 CRHBP (0.64) THRBRXFP1KMT2AMEN1ALDH1A1

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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 THRB 417/4885RXFP1 53/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 409/4885RXFP1 54/4885KMT2A 2953/4885

“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.