SCHEMBL1643586

SCHEMBL1643586

CCOC(=O)CCC1SC=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP4F2 P78329 3/20 0.37
▸ CYP4A11 Q02928 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL9106913 0.65 ALDH1A1 (0.42) GSK3AGSK3BALDH1A1USP2ALOX15
SCHEMBL10614240 0.65 ALDH1A1 (0.42) GSK3AGSK3BALDH1A1USP2ALOX15
Succinic Acid Diethyl Ester SCHEMBL22780 0.64 GAA (0.67) ALDH1A1ALOX15CYP4F2CYP4A11CYP1A2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.64 GAA (0.67) ALDH1A1ALOX15CYP4F2CYP4A11CYP1A2
SCHEMBL15391156 0.64 GSK3A (0.41) GSK3AGSK3BALDH1A1KAT2BUSP2
SCHEMBL26970249 0.64 ALDH1A1 (0.47) ALDH1A1USP2ALOX15TDP1CYP4F2
SCHEMBL20569201 0.64 ALDH1A1 (0.47) GSK3AGSK3BALDH1A1USP2ALOX15
SCHEMBL27740322 0.64 ALDH1A1 (0.51) ALDH1A1USP2ALOX15TDP1CYP4F2
SCHEMBL18623243 0.63 ALDH1A1 (0.50) ALDH1A1USP2ALOX15TDP1CYP4F2
Succinic Acid Diethyl Ester SCHEMBL21815758 0.62 GAA (0.63) ALDH1A1ALOX15CYP4F2CYP4A11CYP1A2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024540-B Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2022-03-04 — — CN claimed
CN-113024540-A Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2021-06-25 — — CN claimed
CN-1445224-B Process for preparing arylaminopropanols SALTIGO GMBH 2012-07-11 — — CN claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 — — CN claimed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 — — US claimed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 — — CN claimed
CN-113980001-B Pyrazolol-pyridazinone coupling compound, pharmaceutical composition thereof and application of pyrazolol-pyridazinone coupling compound in medicines 贵州医科大学 2024-01-30 — — CN disclosed
CN-113024540-B Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2022-03-04 — — CN disclosed
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 — — CN disclosed
CN-113980001-A Pyrazole alcohol-pyridazinone coupling compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-01-28 — — CN disclosed
CN-113200850-A Preparation method of alpha-acyloxyketone compound 渭南师范学院 2021-08-03 — — CN disclosed
CN-113024540-A Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2021-06-25 — — CN disclosed
CN-105566110-B A kind of synthetic method of polysubstituted 1 naphthols and its derivative 南开大学 2017-10-20 — — CN disclosed
CN-1694878-A Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein AVECIA LTD (GB) 2005-11-09 — — CN disclosed
CN-1688582-A Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2005-10-26 — — CN disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 — — EP disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 — — WO disclosed
EP-1486493-A1 3-HYDROXY-3-(2-THIENYL)PROPIONAMIDE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING 3-AMINO-1-(2-THIENYL)-1-PROPANOL COMPOUND THEREFROM Mitsubishi Chemical Corporation (JP) 2004-12-15 — — EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 — — WO disclosed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 — — CN 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 GSK3A 2729/4885GSK3B 3103/4885ALDH1A1 233/4885

“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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