SCHEMBL21821841

SCHEMBL21821841

CS(=O)(=O)c1ccc(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAP1LC3B Q9GZQ8 5/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL21821814 0.87 MAP1LC3B (0.45) ALDH1A1MAP1LC3BSLC18A3LMNAMAPT
SCHEMBL21821781 0.86 ALDH1A1 (0.38) ALDH1A1MAP1LC3BSLC18A3LMNAMAPT
SCHEMBL21821754 0.85 MAP1LC3B (0.44) ALDH1A1MAP1LC3BSLC18A3MEN1KMT2A
SCHEMBL21821591 0.85 SLC18A3 (0.50) ALDH1A1MAP1LC3BSLC18A3MEN1KMT2A
SCHEMBL22111681 0.84 BRD4 (0.48) ALDH1A1MAP1LC3BLMNABRD4MEN1
SCHEMBL26523519 0.84 ALDH1A1 (0.43) ALDH1A1MAP1LC3BSLC18A3LMNAMAPT
SCHEMBL26523529 0.84 ALDH1A1 (0.37) ALDH1A1MAP1LC3BSLC18A3LMNAMAPT
SCHEMBL22111740 0.83 CYP3A4 (0.37) ALDH1A1SLC18A3MEN1KMT2A
SCHEMBL21821837 0.82 DRD2 (0.36) ALDH1A1MAP1LC3B
SCHEMBL21821839 0.82 KDM1A (0.37) ALDH1A1MAP1LC3BSLC18A3KCNJ1KCNH2

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
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 — — 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 (2 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 SLC9A3 4414/4885ALDH1A1 4264/4885CA12 4863/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 SLC9A3 4414/4885ALDH1A1 4264/4885CA12 4863/4885

“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.

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