SCHEMBL26015578

SCHEMBL26015578

CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.46
▸ FOLH1 Q04609 8/20 0.44
▸ CTSL P07711 2/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ SIRT1 Q96EB6 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA5 P08648 1/20 0.36

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
SCHEMBL29649549 0.91 SSTR3 (0.42) SSTR3FOLH1CTSLHTR2AHDAC8
SCHEMBL26015675 0.90 HTR2A (0.40) SSTR3FOLH1HTR2ASIRT1SIRT2
SCHEMBL14129704 0.87 SSTR3 (0.48) SSTR3FOLH1HDAC8SIRT1SIRT2
SCHEMBL26015579 0.84 ITGB1 (0.43) FOLH1HDAC8ITGB1ITGA5
SCHEMBL29649584 0.83 FOLH1 (0.40) SSTR3FOLH1CTSL
SCHEMBL16450919 0.83 SSTR3 (0.49) SSTR3CTSLHTR2AHDAC8SIRT1
SCHEMBL29649540 0.83 FOLH1 (0.45) SSTR3FOLH1
SCHEMBL29589720 0.83 SSTR3 (0.36) SSTR3FOLH1HTR2ASIRT1SIRT2
SCHEMBL29649444 0.82 FOLH1 (0.39) SSTR3FOLH1CTSL
SCHEMBL26015581 0.81 FOLH1 (0.38) FOLH1SIRT1SIRT2SIRT5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 3591/4885FOLH1 433/4885CTSL 1742/4885

“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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