SCHEMBL3459440

SCHEMBL3459440

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASR P41180 1/20 0.44
THRB P10828 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TRPV4 Q9HBA0 5/20 0.44
EPHX2 P34913 1/20 0.43
IDH2 P48735 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3459439 0.84 KMT2A (0.51) GAAHTTKMT2ALMNAPOLB
SCHEMBL967264 0.84 GAA (0.52) GAAHTTKMT2ALMNAPOLB
SCHEMBL967263 0.73 LMNA (0.52) GAAHTTKMT2ALMNAPOLB
SCHEMBL4714647 0.71 GAA (0.57) GAAHTTKMT2ALMNAPOLB
SCHEMBL22500601 0.70 MMP2 (0.48) GAAKMT2ALMNA
SCHEMBL3460296 0.68 CA12 (0.46) GAAHTTKMT2APOLBCYP1A2
SCHEMBL19745233 0.68 RAB9A (0.64) GAAHTTKMT2ALMNAPOLB
SCHEMBL19592439 0.68 HSD17B10 (0.67) GAAHTTKMT2ALMNAPOLB
SCHEMBL30977682 0.68 HSD17B10 (0.67) GAAHTTKMT2ALMNAPOLB
SCHEMBL22501232 0.67 POLB (0.47) KMT2APOLBMAPT

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-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 (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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR GAA 950/4885HTT 2468/4885KMT2A 3420/4885

“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.