SCHEMBL21821938

SCHEMBL21821938

COC(=O)c1ccc(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MAP1LC3B Q9GZQ8 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL21821712 0.89 CYP2C19 (0.46) HIF1ATSHRMAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL21821577 0.89 ALDH1A1 (0.46) HIF1AMAP1LC3BALDH1A1SMN1; SMN2CYP2C19
SCHEMBL22056945 0.83 CYP2C19 (0.58) HIF1ATSHRMAP1LC3BALDH1A1HPGD
SCHEMBL21821912 0.82 HIF1A (0.51) HIF1ATSHRMAP1LC3BALDH1A1MAPK1
SCHEMBL21821868 0.82 NAMPT (0.40) HIF1AMAP1LC3BALDH1A1SMN1; SMN2HPGD
SCHEMBL21821713 0.80 MAP1LC3B (0.49) HIF1ATSHRMAP1LC3BALDH1A1SMN1; SMN2
SCHEMBL22057715 0.79 MAP1LC3B (0.56) TSHRMAP1LC3BALDH1A1SMN1; SMN2CYP2C19
SCHEMBL22111846 0.79 MAP1LC3B (0.41) HIF1ATSHRMAP1LC3BALDH1A1MAPK1
SCHEMBL21821739 0.79 MAP1LC3B (0.41) HIF1ATSHRMAP1LC3BALDH1A1MAPK1
SCHEMBL21821926 0.78 AKR1C3 (0.49) MAP1LC3BALDH1A1SMN1; SMN2HSD17B10CYP2C19

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 7 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
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 HIF1A 1782/4885TSHR 4336/4885MAP1LC3B 15/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 HIF1A 1782/4885TSHR 4336/4885MAP1LC3B 15/4885

“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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