SCHEMBL10114941

SCHEMBL10114941

Cc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c(C)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
GRIA2 P42262 3/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
CCR8 P51685 1/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
BRD4 O60885 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL13204434 1.00 ACACB (0.36) ACACBGRIA2ALDH1A1THRBCCR8
SCHEMBL10114950 0.89 GSK3A (0.38) ACACBGRIA2CCR8RECQLLMNA
SCHEMBL13204432 0.89 GSK3A (0.38) ACACBGRIA2CCR8RECQLLMNA
SCHEMBL10116145 0.85 CCR8 (0.41) THRBCCR8MEN1KMT2A
SCHEMBL10114919 0.84 ACACB (0.42) ACACBGRIA2ALDH1A1CCR8RAB9A
SCHEMBL14424389 0.84 ACACB (0.42) ACACBGRIA2ALDH1A1CCR8RAB9A
SCHEMBL17090190 0.84 PTGER4 (0.35) GRIA2BRD4NPY5R
SCHEMBL13565307 0.84 PTGER4 (0.35) GRIA2BRD4NPY5R
SCHEMBL13204412 0.80 LMNA (0.42) GRIA2ALDH1A1POLBLMNARAB9A
SCHEMBL10114935 0.80 LMNA (0.42) GRIA2ALDH1A1POLBLMNARAB9A

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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 ACACB 3070/4885GRIA2 334/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ACACB 3095/4885GRIA2 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.