SCHEMBL963655

SCHEMBL963655

CN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.56
SIRT1 Q96EB6 11/20 0.56
TGM2 P21980 1/20 0.54
SIRT5 Q9NXA8 4/20 0.53
SIRT3 Q9NTG7 5/20 0.53
MGLL Q99685 1/20 0.52

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
SCHEMBL968952 0.81 HDAC4 (0.60) SIRT2SIRT1TGM2SIRT5SIRT3
SCHEMBL963549 0.79 MGLL (0.50) TGM2MGLL
SCHEMBL22034400 0.78 SIRT5 (0.57) SIRT2SIRT1SIRT5SIRT3MGLL
SCHEMBL22034402 0.78 SIRT5 (0.57) SIRT2SIRT1SIRT5SIRT3MGLL
SCHEMBL3460295 0.78 SMN1; SMN2 (0.52)
SCHEMBL13227705 0.78 FOLH1 (0.69) SIRT2SIRT1TGM2
SCHEMBL31265517 0.78 FOLH1 (0.69) SIRT2SIRT1TGM2
SCHEMBL31265519 0.78 FOLH1 (0.69) SIRT2SIRT1TGM2
SCHEMBL19688778 0.78 MGLL (0.76) MGLL
SCHEMBL17133762 0.77 TGM2 (0.57) TGM2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SIRT2 1457/4885SIRT1 1060/4885TGM2 3032/4885

“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.