SCHEMBL10115499

SCHEMBL10115499

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.46
GRIA2 P42262 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10115328 0.88 KMT2A (0.52) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10113688 0.87 HDAC3 (0.56) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL10115376 0.86 GRIA1 (0.45) GRIA1GRIA2ALDH1A1LMNAHDAC6
SCHEMBL10115520 0.84 GRIA1 (0.41) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL10115477 0.84 HDAC6 (0.48) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL10134489 0.82 ALDH1A1 (0.46) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL12882442 0.82 KMT2A (0.56) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10115123 0.82 ALDH1A1 (0.44) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10115297 0.81 HDAC6 (0.67) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL13565328 0.80 GRIA1 (0.59) GRIA1GRIA2ALDH1A1HTR1AMEN1

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 GRIA1 278/4885GRIA2 347/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA1 251/4885GRIA2 334/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA1 277/4885GRIA2 358/4885ALDH1A1 4517/4885

“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.