Sugi Predict

Sugi Predict / Compounds / SCHEMBL2415069

SCHEMBL2415069

SCHEMBL2415069

COC(=O)c1c(OC)c(=O)c(C(=O)O)cn1CC(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CHRM1 P11229 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NR4A2 P43354 1/20 0.32
▸ TOP1 P11387 3/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL15064604 0.92 BRD4 (0.38) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL18567026 0.91 HTT (0.35) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL16447915 0.91 BRD4 (0.37) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL15084366 0.91 HSD17B10 (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL15084354 0.90 BRD4 (0.36) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL19755583 0.88 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17967309 0.88 PDE3B (0.33) KDM4EALDH1A1LMNAKMT2ABRD4
SCHEMBL15913967 0.88 RAB9A (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17695116 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL21120535 0.86 HSD17B10 (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327008-A Green synthesis process of dortefovir intermediate 江西迪赛诺制药有限公司 2024-01-02 — — CN claimed
CN-116496296-A Dolutegravir derivative with anti-tumor function and preparation method thereof 河南师范大学 2023-07-28 — — CN claimed
CN-116003435-A Efficient green preparation method of dolutegravir 河南师范大学 2023-04-25 — — CN claimed
CN-115746022-A Preparation method and application of caspovir derivative 河南科技大学 2023-03-07 — — CN claimed
CN-113527333-B Dolutegravir derivative with biological activity and preparation method and application thereof 南开大学 2022-08-05 — — CN claimed
CN-113527332-B Biological activity-possessed caspovir derivative, and preparation method and application thereof 南开大学 2022-07-26 — — CN claimed
CN-113527334-B Triazole derivative capable of influencing calcium ion channel of tumor cell and preparation method and application thereof 济南爱思医药科技有限公司 2022-04-29 — — CN claimed
CN-114349693-A Preparation method of dolutegravir key intermediate 瑞孚信江苏药业股份有限公司 2022-04-15 — — CN claimed
CN-113527333-A Dolutegravir derivative with biological activity and preparation method and application thereof 南开大学 2021-10-22 — — CN claimed
CN-113527332-A Kabauvir derivative with biological activity and preparation method and application thereof 南开大学 2021-10-22 — — CN claimed
CN-113527334-A Triazole derivative capable of influencing calcium ion channel of tumor cell and preparation method and application thereof 济南爱思医药科技有限公司 2021-10-22 — — CN claimed
EP-3260457-B1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE CO (US) 2020-12-02 — — EP claimed
US-20190106435-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE COMPANY 2019-04-11 — — US claimed
EP-3260457-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2017-12-27 — — EP claimed
EP-2549870-B1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE CO (US) 2017-04-19 — — EP claimed
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates VIIV HEALTHCARE COMPANY 2013-07-04 — — US claimed
EP-2549870-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2013-01-30 — — EP claimed
WO-2011119566-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO claimed
US-12187740-B2 Polymorphic forms of bictegravir potassium HONOUR LAB LIMITED (IN) 2025-01-07 — — US disclosed
WO-2011119566-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES GLAXOSMITHKLINE LLC (US) 2011-09-29 — — 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 (3 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-12187740-B2 Polymorphic forms of bictegravir potassium ABCB1, KCNK5, KCNJ11 KDM4E 1199/4885ALDH1A1 997/4885HPGD 1001/4885
US-20190106435-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES CPS1, CYP3A4, SDHA KDM4E 189/4885ALDH1A1 1121/4885HPGD 447/4885
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates CPS1, CYP3A4, DHPS KDM4E 633/4885ALDH1A1 2141/4885HPGD 582/4885

“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.