SCHEMBL966529

SCHEMBL966529

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
KIF11 P52732 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
MRGPRX4 Q96LA9 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
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL966528 0.85 CA12 (0.49) SMN1; SMN2TP53KIF11CA12CA1
SCHEMBL3448329 0.80 KMT2A (0.64) CA1MMP2KMT2AMAPTGAA
SCHEMBL3448327 0.80 KMT2A (0.64) CA1MMP2KMT2AMAPTGAA
SCHEMBL2250381 0.80 MRGPRX4 (0.53) KMT2AMAPTMEN1MRGPRX4CYP1A2
Hydrochloric Acid SCHEMBL23834278 0.79 KMT2A (0.62) CA1MMP2KMT2AMAPTGAA
SCHEMBL966550 0.79 CA12 (0.54) SMN1; SMN2TP53KIF11CA12CA1
SCHEMBL1128799 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53KIF11CA12CA1
SCHEMBL1537640 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53KIF11CA12CA1
SCHEMBL177253 0.77 KMT2A (0.48) CA1MMP2KMT2AMAPTGAA
SCHEMBL964299 0.77 CA12 (0.49) SMN1; SMN2TP53KIF11CA12CA1

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 SMN1; SMN2 2850/4885TP53 1327/4885KIF11 2647/4885

“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.