SCHEMBL22617484

SCHEMBL22617484

O=C(NC1CC2C=CC1C2)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.53
▸ EPHX2 P34913 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL22617482 1.00 GAA (0.53) GAAEPHX2ALDH1A1TDP1CES2
SCHEMBL31472623 0.87 GAA (0.53) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472619 0.82 GAA (0.52) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472635 0.82 GAA (0.52) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472633 0.82 GAA (0.52) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472630 0.82 GAA (0.54) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472622 0.82 GAA (0.54) GAAEPHX2ALDH1A1TDP1
SCHEMBL31472627 0.79 EPHX2 (0.50) GAAEPHX2ALDH1A1
SCHEMBL31472628 0.79 EPHX2 (0.50) GAAEPHX2ALDH1A1
SCHEMBL22617503 0.77 CES2 (0.48) CES2CES1GSK3B

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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 — — US disclosed
EP-3962899-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO 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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 GAA 2054/4885EPHX2 3920/4885ALDH1A1 3472/4885

“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.

Send feedback