SCHEMBL964346

SCHEMBL964346

CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
XBP1 P17861 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TRPV4 Q9HBA0 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL19675770 0.84 NLRP3 (0.50) MAPTNPSR1ALDH1A1
SCHEMBL19675697 0.83 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1L3MBTL1HDAC3
SCHEMBL14955215 0.82 TP53 (0.67) SMN1; SMN2MAPTMEN1GAAXBP1
SCHEMBL23991325 0.82 POLB (0.59) SMN1; SMN2MAPTMEN1GAAKMT2A
SCHEMBL19675843 0.80 HDAC3 (0.43) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL29661791 0.78 AURKB (0.69) SMN1; SMN2MAPTMEN1GAAXBP1
SCHEMBL12818014 0.78 AURKB (0.69) SMN1; SMN2MAPTMEN1GAAXBP1
SCHEMBL1013325 0.78 RXFP1 (0.73) SMN1; SMN2MAPTMEN1GAAXBP1
SCHEMBL30042580 0.78 RXFP1 (0.73) SMN1; SMN2MAPTMEN1GAAXBP1
SCHEMBL19675878 0.77 PDK1 (0.56) MEN1KMT2ALMNAL3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 WO 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MAPT 3812/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MAPT 3812/4885MEN1 4049/4885

“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.