SCHEMBL23051312

SCHEMBL23051312

C=C(P)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ FURIN P09958 4/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ SIRT2 Q8IXJ6 8/20 0.37
▸ SIRT1 Q96EB6 7/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPY1R P25929 1/20 0.35

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
SCHEMBL15699830 0.92 SIRT5 (0.39) MAP1LC3BFURINSIRT5SIRT2SIRT1
SCHEMBL19687790 0.91 SIRT5 (0.39) MAP1LC3BFURINSIRT5SIRT2SIRT1
SCHEMBL19387330 0.89 SIRT5 (0.38) MAP1LC3BFURINSIRT5SIRT2SIRT1
SCHEMBL22138596 0.88 FURIN (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL20705515 0.88 FURIN (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL22138594 0.88 FURIN (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL27447192 0.88 FURIN (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL24296990 0.88 FURIN (0.40) MAP1LC3BFURINSIRT2SIRT1SIRT3
SCHEMBL23252621 0.88 FAP (0.42) MAP1LC3BFURINSIRT5SIRT2SIRT1
SCHEMBL25000070 0.87 SIRT2 (0.38) MAP1LC3BFURINSIRT5SIRT2SIRT1

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-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore PFIZER INC. (US) 2022-06-21 — — US disclosed
US-20210061923-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE PFIZER INC. (US) 2021-03-04 — — 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-20210061923-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE CCNI, TTI1, TTI2 MAP1LC3B 194/4885FURIN 2289/4885SIRT5 4164/4885
US-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore CCNI, TTI1, TTI2 MAP1LC3B 194/4885FURIN 2289/4885SIRT5 4164/4885

“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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