SCHEMBL16946450

SCHEMBL16946450

COCc1ccc(NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 7/20 0.42
▸ KLKB1 P03952 1/20 0.40
▸ CALCRL Q16602 1/20 0.37
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ SSTR3 P32745 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ MMP3 P08254 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PLG P00747 1/20 0.34

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
SCHEMBL21234897 0.91 FURIN (0.48) FURINKLKB1CALCRLCHRNA1CHRNG
SCHEMBL16645118 0.91 FURIN (0.47) FURINKLKB1CALCRLSSTR3PDF
SCHEMBL16949521 0.86 FURIN (0.36) FURINKLKB1CALCRLCHRNA1CHRNG
SCHEMBL24774284 0.85 FURIN (0.40) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL15699830 0.85 SIRT5 (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL25680283 0.85 FURIN (0.40) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL23051312 0.84 MAP1LC3B (0.38) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL22138594 0.84 FURIN (0.39) FURINKLKB1CHRNA1CHRNGCHRNB1
SCHEMBL20705515 0.84 FURIN (0.39) FURINKLKB1CHRNA1CHRNGCHRNB1
SCHEMBL22138596 0.84 FURIN (0.39) FURINKLKB1CHRNA1CHRNGCHRNB1

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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 — — US disclosed
WO-2015110935-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2015-07-30 — — 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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 FURIN 3455/4885KLKB1 1725/4885CALCRL 4148/4885

“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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