SCHEMBL964299

SCHEMBL964299

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KIF11 P52732 2/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
SYK P43405 2/20 0.45
MPO P05164 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL966528 0.85 CA12 (0.49) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL3460296 0.84 CA12 (0.46) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL966550 0.84 CA12 (0.54) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL3459274 0.83 TRPV4 (0.44) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL3460784 0.82 TP53 (0.50) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL966245 0.80 KIF11 (0.45) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL5037608 0.79 GAA (0.50) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL10180793 0.79 MGLL (0.45) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL967238 0.78 SMN1; SMN2 (0.48) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL964298 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHTTLMNAPKM

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 CA12 4393/4885CA1 4267/4885MMP2 511/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR CA12 4393/4885CA1 4267/4885MMP2 511/4885

“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.