SCHEMBL10113503

SCHEMBL10113503

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sc(S)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC6 Q9UBN7 6/20 0.43
TRPV1 Q8NER1 5/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HDAC8 Q9BY41 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL10113768 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1TP53RAB9AHDAC6
SCHEMBL13564775 0.84 PKM (0.36) SMN1; SMN2NPC1TP53RAB9ATRPV1
SCHEMBL10115086 0.82 KEAP1 (0.46) SMN1; SMN2HDAC6ALDH1A1LMNAHDAC3
SCHEMBL10113639 0.79 MEN1 (0.47) SMN1; SMN2NPC1TP53RAB9AHDAC6
SCHEMBL10113629 0.78 HDAC6 (0.47) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL10115105 0.77 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL10113518 0.76 HDAC6 (0.53) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL13370602 0.76 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL10113626 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL10113535 0.76 HDAC6 (0.74) NPC1RAB9AHDAC6ALDH1A1HDAC8

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 7 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
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 (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 SMN1; SMN2 2213/4885NPC1 1435/4885TP53 4449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885NPC1 1353/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885NPC1 1462/4885TP53 4486/4885

“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.