SCHEMBL965698

SCHEMBL965698

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL967255 0.86 SMN1; SMN2 (0.57) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL18838552 0.81 SMN1; SMN2 (0.70) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL29446980 0.81 SMN1; SMN2 (0.70) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL837824 0.81 SMN1; SMN2 (0.70) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL963073 0.80 SMN1; SMN2 (0.57) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL965697 0.78 TP53 (0.62) GAATP53SMN1; SMN2KDM4EMEN1
SCHEMBL8102985 0.75 CA12 (0.59) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL967264 0.74 GAA (0.52) GAASMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL633235 0.74 CA12 (0.58) GAATP53SMN1; SMN2KDM4ECA12
SCHEMBL5561958 0.74 SMN1; SMN2 (0.63) GAATP53SMN1; SMN2KDM4EMEN1

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 950/4885TP53 1327/4885SMN1; SMN2 2850/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR GAA 950/4885TP53 1327/4885SMN1; SMN2 2850/4885

“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.