SCHEMBL10116596

SCHEMBL10116596

Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL10134215 1.00 THRB (0.40) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10116489 0.88 THRB (0.43) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL13222300 0.88 THRB (0.42) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL13204928 0.88 THRB (0.42) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10134530 0.88 ALDH1A1 (0.41) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10116334 0.88 ALDH1A1 (0.41) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10116598 0.88 THRB (0.40) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10134225 0.88 THRB (0.40) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10134540 0.85 THRB (0.37) THRBCRHBPCRHR2RXFP1KMT2A
SCHEMBL10116667 0.85 THRB (0.37) THRBCRHBPCRHR2RXFP1KMT2A

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 6 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-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 THRB 414/4885CRHBP 238/4885CRHR2 12/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 417/4885CRHBP 256/4885CRHR2 13/4885

“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.