SCHEMBL10113181

SCHEMBL10113181

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10115015 0.84 KMT2A (0.58) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10113759 0.83 CACNA1G (0.47) CACNA1GHPGDUSP2LMNAMAPT
SCHEMBL10114991 0.83 ALDH1A1 (0.54) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL10113183 0.82 EPHX2 (0.54) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL11934731 0.81 MAPT (0.46) HPGDLMNAMAPTPDK1PDK2
SCHEMBL10115073 0.80 HDAC3 (0.47) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL10115008 0.80 L3MBTL1 (0.56) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10115113 0.79 HDAC3 (0.56) HDAC3HDAC1POLB
SCHEMBL14627642 0.78 HDAC3 (0.50) LMNAGAAKMT2AALDH1A1HDAC3
SCHEMBL10115083 0.77 HDAC1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1HDAC3

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 12 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-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 CACNA1G 1329/4885HPGD 3487/4885USP2 3137/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CACNA1G 1132/4885HPGD 3475/4885USP2 3680/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CACNA1G 1349/4885HPGD 3476/4885USP2 3174/4885

“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.