SCHEMBL13203809

SCHEMBL13203809

CCCCOc1ccc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
NPY5R Q15761 1/20 0.52
MAPK1 P28482 1/20 0.49
ENPP3 O14638 3/20 0.48
ENPP1 P22413 3/20 0.48
ENPP2 Q13822 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL10113294 1.00 KMT2A (0.53) KMT2ANPY5RMAPK1ENPP3ENPP1
SCHEMBL13203852 0.89 NPY5R (0.45) KMT2ANPY5RMAPK1CA12CA1
SCHEMBL10113319 0.89 NPY5R (0.45) KMT2ANPY5RMAPK1CA12CA1
SCHEMBL10113270 0.89 ALDH1A1 (0.51) KMT2ANPY5RLMNASMN1; SMN2KDM4E
SCHEMBL13203804 0.89 ALDH1A1 (0.51) KMT2ANPY5RLMNASMN1; SMN2KDM4E
SCHEMBL14424341 0.87 NPY5R (0.52) KMT2ANPY5RENPP3ENPP1ENPP2
SCHEMBL10114553 0.87 NPY5R (0.52) KMT2ANPY5RENPP3ENPP1ENPP2
SCHEMBL10113299 0.87 NPY5R (0.52) KMT2ANPY5RENPP3ENPP1ENPP2
SCHEMBL13203814 0.87 NPY5R (0.52) KMT2ANPY5RENPP3ENPP1ENPP2
SCHEMBL10113277 0.86 NPY5R (0.47) KMT2ANPY5RMAPK1ENPP3ENPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2912/4885NPY5R 1/4885MAPK1 1371/4885

“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.