SCHEMBL966528

SCHEMBL966528

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

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 6/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL964299 0.85 CA12 (0.49) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL966529 0.85 SMN1; SMN2 (0.51) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL966550 0.84 CA12 (0.54) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL4821017 0.80 GAA (0.51) MMP2ALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL2250379 0.80 FFAR1 (0.54) L3MBTL1EPHX1FFAR1FFAR4
SCHEMBL966245 0.80 KIF11 (0.45) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL967238 0.78 SMN1; SMN2 (0.48) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL10180793 0.76 MGLL (0.45) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL963073 0.75 SMN1; SMN2 (0.57) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL1451069 0.75 MAPT (0.58) ALDH1A1MAPTMEN1KMT2AHTT

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 1 patent. 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

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 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.