SCHEMBL10116233

SCHEMBL10116233

C[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c2)C[C@H](C)O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.66
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 3/20 0.56
THRB P10828 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL10134521 1.00 RXFP1 (0.66) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10133581 0.89 THRB (0.65) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10116225 0.89 THRB (0.65) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10116513 0.86 RXFP1 (0.66) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10134220 0.86 RXFP1 (0.66) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10116185 0.84 RXFP1 (0.52) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10134518 0.84 RXFP1 (0.52) RXFP1ALDH1A1LMNAMAPTTHRB
SCHEMBL10116393 0.84 RAB9A (0.67) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL10116362 0.83 RXFP1 (0.56) RXFP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10134532 0.83 RXFP1 (0.56) RXFP1ALDH1A1LMNAMEN1KMT2A

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 7 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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R RXFP1 54/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RXFP1 53/4885ALDH1A1 4599/4885LMNA 2068/4885

“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.