SCHEMBL10134044

SCHEMBL10134044

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(CCCC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HDAC6 Q9UBN7 5/20 0.46
KDM1A O60341 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10112855 0.87 HPGD (0.57) ALDH1A1LMNAHDAC6NPC1RAB9A
SCHEMBL10113009 0.86 HPGD (0.56) ALDH1A1LMNAHDAC6NPC1RAB9A
SCHEMBL10113481 0.86 NR1H4 (0.51) ALDH1A1LMNAHDAC6KDM1ANPC1
SCHEMBL10114984 0.86 ALDH1A1 (0.50) ALDH1A1LMNAHDAC6NPC1RAB9A
SCHEMBL13972905 0.85 ALDH1A1 (0.49) ALDH1A1LMNAHDAC6KDM1AHDAC3
SCHEMBL10133320 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHDAC6KDM1ANPC1
SCHEMBL10113485 0.84 EPHX2 (0.47) ALDH1A1LMNAHDAC6KDM1ANPC1
SCHEMBL10113030 0.84 HPGD (0.59) ALDH1A1HDAC6KDM1ANPC1RAB9A
SCHEMBL10114966 0.83 HDAC6 (0.60) ALDH1A1LMNAHDAC6HPGDHDAC3
SCHEMBL13565491 0.82 MEN1 (0.36) ALDH1A1HPGDMEN1KMT2AMAPT

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 3 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-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

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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885HDAC6 1849/4885

“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.