SCHEMBL16992189

SCHEMBL16992189

COC(=O)c1ccc([C@@H]2CN(C(=O)O)CCO2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.42
▸ PDE4B Q07343 9/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ QDPR P09417 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL17002544 0.86 PDE4B (0.50) PDE2APDE4BPDE4APDE4CPDE4D
SCHEMBL30606466 0.86 PDE4B (0.50) PDE2APDE4BPDE4APDE4CPDE4D
SCHEMBL16991981 0.83 PDE2A (0.39) PDE2APDE4BQDPRDRD3USP30
SCHEMBL29318596 0.81 DRD4 (0.51) DRD3
SCHEMBL15109784 0.81 HSD17B10 (0.50) ALDH1A1KDM4EHPGDALOX15MGLL
SCHEMBL16992476 0.79 PTPN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16992246 0.79 PTPN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16992384 0.77 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL16992208 0.76 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL18310142 0.76 PDE4B (0.51) PDE2APDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 — — US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 — — US disclosed
EP-3811944-A1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS Sentinel Oncology Limited (GB) 2021-04-28 — — EP disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 — — US disclosed
EP-3104860-B1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2020-12-30 — — EP disclosed
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CASCADIAN THERAPEUTICS, INC. (US) 2018-09-27 — — US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 — — US disclosed
EP-3104860-A1 PHARMACEUTICAL COMPOUNDS Cascadian Therapeutics, Inc. (US) 2016-12-21 — — EP disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 — — US disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 — — 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 (6 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-10010547-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 PDE2A 988/4885PDE4B 508/4885PDE4A 656/4885

“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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