SCHEMBL10114285

SCHEMBL10114285

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.50
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 4/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR1A P08908 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPY5R Q15761 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GBA1 P04062 1/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL10113333 1.00 TP53BP1 (0.50) TP53BP1EPHX2ALDH1A1MAPTRAB9A
SCHEMBL13203695 0.89 ALDH1A1 (0.63) EPHX2ALDH1A1MAPTRAB9ALMNA
SCHEMBL13203694 0.89 ALDH1A1 (0.63) EPHX2ALDH1A1MAPTRAB9ALMNA
SCHEMBL10113057 0.89 ALDH1A1 (0.63) EPHX2ALDH1A1MAPTRAB9ALMNA
SCHEMBL10114120 0.87 TP53BP1 (0.49) TP53BP1EPHX2ALDH1A1MAPTRAB9A
SCHEMBL13204267 0.87 TP53BP1 (0.49) TP53BP1EPHX2ALDH1A1MAPTRAB9A
SCHEMBL10115577 0.86 MAPT (0.49) TP53BP1EPHX2MAPTRAB9ALMNA
SCHEMBL10133386 0.85 NPY5R (0.46) TP53BP1EPHX2ALDH1A1LMNAHTT
SCHEMBL10114290 0.85 NPY5R (0.46) TP53BP1EPHX2ALDH1A1LMNAHTT
SCHEMBL13204119 0.85 NPY5R (0.46) TP53BP1EPHX2ALDH1A1LMNAHTT

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-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-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 TP53BP1 4763/4885EPHX2 2158/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53BP1 4723/4885EPHX2 2527/4885ALDH1A1 4599/4885

“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.