SCHEMBL10116623

SCHEMBL10116623

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
ALDH1A1 P00352 1/20 0.47
PDE4D Q08499 2/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
HPGD P15428 1/20 0.44
GRIA2 P42262 2/20 0.43
GRIA4 P48058 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G7 Q13093 1/20 0.41

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
SCHEMBL10116470 0.88 GRIA2 (0.48) HDAC1LMNAKDM4EMAP1LC3BMAP1LC3A
SCHEMBL10116472 0.85 RAB9A (0.56) HDAC1ALDH1A1LMNAKDM4EHPGD
SCHEMBL10116634 0.82 MEN1 (0.61) LMNAKDM4EGRIA2KMT2AMEN1
SCHEMBL10116477 0.82 NPC1 (0.59) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL10116347 0.81 HDAC1 (0.53) HDAC1ALDH1A1PDE4DLMNAHPGD
SCHEMBL10116618 0.81 NPC1 (0.58) LMNAKDM4EHPGDGRIA2KMT2A
SCHEMBL10116458 0.80 GRIA4 (0.60) ALDH1A1LMNAKDM4EHPGDGRIA2
SCHEMBL10116617 0.80 GRIA2 (0.56) LMNAKDM4EHPGDGRIA2GRIA4
SCHEMBL10116655 0.79 NPC1 (0.51) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL10116481 0.79 ALDH1A1 (0.51) HDAC1ALDH1A1LMNAKDM4EHPGD

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 HDAC1 1995/4885ALDH1A1 4558/4885PDE4D 2452/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885ALDH1A1 4599/4885PDE4D 2071/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885ALDH1A1 4517/4885PDE4D 2486/4885

“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.