SCHEMBL10114616

SCHEMBL10114616

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ACACB O00763 3/20 0.47
ENPP3 O14638 3/20 0.46
ENPP1 P22413 3/20 0.46
ENPP2 Q13822 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
STS P08842 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
SCHEMBL14424352 1.00 KMT2A (0.50) KMT2AACACBENPP3ENPP1ENPP2
SCHEMBL14424353 0.88 ALDH1A1 (0.47) KMT2AACACBLMNAALDH1A1HTT
SCHEMBL10114580 0.88 ALDH1A1 (0.47) KMT2AACACBLMNAALDH1A1HTT
SCHEMBL10113998 0.87 KMT2A (0.53) KMT2AACACBENPP3ENPP1ENPP2
SCHEMBL10114008 0.85 HTT (0.58) ENPP3ENPP1MAPTALDH1A1HTT
SCHEMBL13204283 0.85 HTT (0.58) ENPP3ENPP1MAPTALDH1A1HTT
SCHEMBL10114553 0.85 NPY5R (0.52) KMT2AACACBENPP3ENPP1ENPP2
SCHEMBL14424341 0.85 NPY5R (0.52) KMT2AACACBENPP3ENPP1ENPP2
SCHEMBL13204412 0.85 LMNA (0.42) KMT2AMAPTNPSR1LMNAALDH1A1
SCHEMBL14424389 0.85 ACACB (0.42) KMT2AACACBALDH1A1

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 9 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-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 KMT2A 2912/4885ACACB 3152/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885ACACB 3070/4885ENPP3 3225/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885ACACB 3095/4885ENPP3 3416/4885

“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.