SCHEMBL10114151

SCHEMBL10114151

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.61
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 2/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
RORC P51449 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TP53 P04637 1/20 0.42
TGM2 P21980 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13204218 0.89 NPY5R (0.63) NPY5RALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL10114150 0.86 CYP2C19 (0.60) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL10114156 0.84 ALDH1A1 (0.47) NPY5RALDH1A1HPGDTSHRCYP2C19
SCHEMBL10113367 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATP53
SCHEMBL13203870 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATP53
SCHEMBL17090513 0.83 NPY5R (0.48) NPY5RMEN1KMT2ARORCTGM2
SCHEMBL10113370 0.81 NPY5R (0.72) NPY5RALDH1A1MEN1KMT2ARXFP1
SCHEMBL13203872 0.81 NPY5R (0.72) NPY5RALDH1A1MEN1KMT2ARXFP1
SCHEMBL13203776 0.80 KMT2A (0.65) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL10133353 0.80 KMT2A (0.65) ALDH1A1TSHRCYP2C19MEN1KMT2A

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 NPY5R 1/4885ALDH1A1 4558/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ALDH1A1 4599/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ALDH1A1 4517/4885HPGD 3476/4885

“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.