SCHEMBL29649550

SCHEMBL29649550

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.38
▸ FURIN P09958 10/20 0.37
▸ SSTR3 P32745 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PARP14 Q460N5 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL23498013 0.94 HTR2A (0.39) PDFFURINSSTR3FOLH1
SCHEMBL23498015 0.94 HTR2A (0.39) PDFFURINSSTR3FOLH1
SCHEMBL17490581 0.94 HTR2A (0.39) PDFFURINSSTR3FOLH1
SCHEMBL25976125 0.94 HTR2A (0.39) PDFFURINSSTR3FOLH1
SCHEMBL19731615 0.89 FURIN (0.39) PDFFURINSSTR3FOLH1
SCHEMBL22691442 0.89 FURIN (0.39) PDFFURINSSTR3FOLH1
SCHEMBL29649623 0.88 PDF (0.32) PDFFURINSSTR3
SCHEMBL15223879 0.87 HTR2A (0.39) PDFFURINSSTR3
SCHEMBL18792771 0.87 HTR2A (0.39) PDFFURINSSTR3
SCHEMBL25364548 0.86 FURIN (0.34) PDFFURINSSTR3FOLH1MEN1

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 PDF 633/4885FURIN 2087/4885SSTR3 3591/4885

“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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