SCHEMBL29649430

SCHEMBL29649430

Cc1ccc(C(NCCCC[C@H](NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)C(=O)Nc2ccc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.36
▸ FURIN P09958 8/20 0.35
▸ PDF Q9HBH1 1/20 0.34
▸ FOLH1 Q04609 2/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SIRT1 Q96EB6 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ ST6GAL1 P15907 4/20 0.32

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
SCHEMBL29589720 0.95 SSTR3 (0.36) SSTR3FURINPDFFOLH1SIRT1
SCHEMBL25361554 0.88 SIRT5 (0.38) FURINFOLH1SIRT1SIRT2
SCHEMBL25361536 0.88 SIRT5 (0.38) FURINFOLH1SIRT1SIRT2
SCHEMBL25377303 0.87 FOLH1 (0.34) SSTR3FURINPDFFOLH1
SCHEMBL29649549 0.87 SSTR3 (0.42) SSTR3FOLH1SIRT1SIRT2
SCHEMBL25361987 0.87 FURIN (0.37) FURINFOLH1SIRT1SIRT2
SCHEMBL25350530 0.87 FURIN (0.35) FURINSIRT1SIRT2
SCHEMBL25361975 0.87 FURIN (0.37) FURINFOLH1SIRT1SIRT2
SCHEMBL25383060 0.87 FURIN (0.37) FURINFOLH1SIRT1SIRT2
SCHEMBL29048536 0.87 FURIN (0.37) FURINFOLH1SIRT1SIRT2

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
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 — — EP disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — US disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 — — 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 (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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP SSTR3 3591/4885FURIN 2087/4885PDF 633/4885

“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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