SCHEMBL22397127

SCHEMBL22397127

O=C(O)NC12CC(NC(=O)C3COc4cc(Cl)c(Cl)cc4O3)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL22617280 0.87 POLB (0.46) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL29495326 0.83 TSHR (0.39) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL22621882 0.78 POLB (0.34) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL7437653 0.77 POLB (0.45) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL22617237 0.76 BACE1 (0.38) POLBALDH1A1RAB9AHPGD
SCHEMBL1519161 0.76 RPS6KB2 (0.49) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL22397122 0.76 ATF4 (0.52) ALDH1A1TSHRHPGD
SCHEMBL27014198 0.75 ALDH1A1 (0.37) POLBALDH1A1NPC1L3MBTL1MAPT
SCHEMBL22621881 0.75 ATF4 (0.40) POLBALDH1A1MAPTTSHRHTT
SCHEMBL22617203 0.74 GAA (0.40) POLBALDH1A1TSHRRAB9AHPGD

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 6 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
US-20240000792-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2024-01-04 US disclosed
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-11-25 US disclosed
US-20210169892-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2021-06-10 US disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 WO disclosed
EP-3704090-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP 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 (4 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-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 POLB 1759/4885ALDH1A1 3472/4885NPC1 1292/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 POLB 1759/4885ALDH1A1 3472/4885NPC1 1292/4885
US-20210169892-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 POLB 1759/4885ALDH1A1 3472/4885NPC1 1292/4885
US-20240000792-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 POLB 1759/4885ALDH1A1 3472/4885NPC1 1292/4885

“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.