SCHEMBL967264

SCHEMBL967264

C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)NN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
IDH2 P48735 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
EPHX2 P34913 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL3459440 0.84 GAA (0.48) GAAHTTPOLBKMT2ALMNA
SCHEMBL967263 0.82 LMNA (0.52) GAAHTTPOLBKMT2ALMNA
SCHEMBL967255 0.79 SMN1; SMN2 (0.57) GAAHTTPOLBKMT2ALMNA
SCHEMBL4714647 0.75 GAA (0.57) GAAHTTPOLBKMT2ALMNA
SCHEMBL837824 0.75 SMN1; SMN2 (0.70) GAAHTTPOLBKMT2ALMNA
SCHEMBL29446980 0.75 SMN1; SMN2 (0.70) GAAHTTPOLBKMT2ALMNA
SCHEMBL18838552 0.75 SMN1; SMN2 (0.70) GAAHTTPOLBKMT2ALMNA
SCHEMBL965698 0.74 GAA (0.56) GAAHTTPOLBKMT2ALMNA
SCHEMBL3459439 0.74 KMT2A (0.51) GAAHTTPOLBKMT2ALMNA
SCHEMBL963073 0.73 SMN1; SMN2 (0.57) GAAHTTKMT2ALMNAMAPT

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-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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR GAA 950/4885HTT 2468/4885POLB 1908/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR GAA 950/4885HTT 2468/4885POLB 1908/4885

“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.