SCHEMBL26015675

SCHEMBL26015675

CNCCCC[C@H](NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ SSTR3 P32745 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FURIN P09958 4/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ TGM2 P21980 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ST6GAL1 P15907 4/20 0.32
▸ SIRT1 Q96EB6 3/20 0.32
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL23498013 0.92 HTR2A (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL17490581 0.92 HTR2A (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL23498015 0.92 HTR2A (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL25976125 0.91 HTR2A (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL26015578 0.90 SSTR3 (0.46) HTR2ASSTR3FOLH1SIRT5SIRT1
SCHEMBL29589720 0.89 SSTR3 (0.36) HTR2ASSTR3PDFFURINFOLH1
SCHEMBL29423505 0.88 HTR2A (0.45) HTR2AALDH1A1MAPK1L3MBTL1ST6GAL1
SCHEMBL19731615 0.87 FURIN (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL22691442 0.87 FURIN (0.39) HTR2ASSTR3PDFALDH1A1MAPK1
SCHEMBL29649550 0.85 PDF (0.38) SSTR3PDFFURINFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263898-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-24 — — US disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — US 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP HTR2A 4236/4885SSTR3 3591/4885PDF 633/4885
US-20230263898-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF FOLR1, FOLR2, DHFR HTR2A 2703/4885SSTR3 1520/4885PDF 421/4885

“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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