SCHEMBL21593874

SCHEMBL21593874

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCSCC1)OCO3

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.84
▸ SLC2A1 P11166 1/20 0.76

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
SCHEMBL23255477 0.93 TOP1 (0.76) TOP1SLC2A1
SCHEMBL23255613 0.92 TOP1 (0.87) TOP1SLC2A1
SCHEMBL21410041 0.92 TOP1 (1.00) TOP1SLC2A1
SCHEMBL31312371 0.92 TOP1 (1.00) TOP1SLC2A1
SCHEMBL21450474 0.92 SLC2A1 (0.89) TOP1SLC2A1
SCHEMBL21450469 0.92 TOP1 (1.00) TOP1SLC2A1
SCHEMBL31312530 0.92 SLC2A1 (0.89) TOP1SLC2A1
SCHEMBL25402218 0.90 TOP1 (0.87) TOP1SLC2A1
SCHEMBL25403553 0.90 TOP1 (0.82) TOP1SLC2A1
SCHEMBL15711952 0.89 TOP1 (1.00) TOP1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2022-06-09 — — US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 — — US disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 — — 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 (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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET TOP1 2368/4885SLC2A1 4162/4885
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 TOP1 10/4885SLC2A1 1886/4885

“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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