SCHEMBL24437403

SCHEMBL24437403

CCOc1cc([C@H](N)CSC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PDE4A P27815 11/20 0.44
PDE4B Q07343 11/20 0.44
PDE4C Q08493 11/20 0.44
PDE4D Q08499 11/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL3361536 1.00 ALDH1A1 (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL30776670 1.00 ALDH1A1 (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL19490752 0.88 PDE4A (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL16865875 0.87 ALDH1A1 (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL16865878 0.87 ALDH1A1 (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7099805 0.87 ALDH1A1 (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6423584 0.87 ALDH1A1 (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2995126 0.87 ALDH1A1 (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11982806 0.83 ALDH1A1 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11982739 0.83 ALDH1A1 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117587078-A Preparation method of apremilast drug intermediate 华中科技大学 2024-02-23 CN claimed
CN-117587078-A Preparation method of apremilast drug intermediate 华中科技大学 2024-02-23 CN disclosed
CN-117587078-A Preparation method of apremilast drug intermediate 华中科技大学 2024-02-23 CN disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 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-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 509/4885PDE4A 1/4885PDE4B 2/4885

“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.