SCHEMBL22669609

SCHEMBL22669609

C=C(CCNC(=O)COc1ccc(F)cc1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ATF4 P18848 8/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL20999062 0.96 ALDH1A1 (0.50) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL20999710 0.94 MEN1 (0.47) ALDH1A1ATF4LMNATP53SMN1; SMN2
SCHEMBL20999087 0.93 ALDH1A1 (0.46) ALDH1A1ATF4SMN1; SMN2GAA
SCHEMBL20999659 0.92 ALDH1A1 (0.47) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL20999111 0.92 HDAC1 (0.53) ALDH1A1ATF4LMNAGRIN1GRIN2B
SCHEMBL20999593 0.91 ALDH1A1 (0.46) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL22669317 0.91 ALDH1A1 (0.43) ALDH1A1ATF4SMN1; SMN2
SCHEMBL20999096 0.91 ALDH1A1 (0.44) ALDH1A1ATF4TP53SMN1; SMN2
SCHEMBL20999316 0.91 ALDH1A1 (0.44) ALDH1A1ATF4GRIN1GRIN2B
SCHEMBL22668994 0.90 ATF4 (0.43) ALDH1A1ATF4GRIN1GRIN2B

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3433/4885ATF4 1/4885LMNA 3376/4885

“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.