SCHEMBL17758699

SCHEMBL17758699

CCN[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)NC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 10/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BMP1 P13497 1/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ REN P00797 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP9 P14780 1/20 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
SCHEMBL19996650 1.00 FURIN (0.37) FURINSIRT6SIRT1SMN1; SMN2BMP1
SCHEMBL22351933 1.00 FURIN (0.37) FURINSIRT6SIRT1SMN1; SMN2BMP1
SCHEMBL21897483 0.90 FURIN (0.39) FURINSIRT6SIRT1BMP1C3AR1
SCHEMBL20795891 0.89 FURIN (0.36) FURINSIRT6SIRT1SMN1; SMN2BMP1
SCHEMBL20159819 0.89 FURIN (0.36) FURINSIRT6SIRT1SMN1; SMN2BMP1
SCHEMBL23736705 0.89 FURIN (0.36) FURINSIRT6SIRT1SMN1; SMN2BMP1
SCHEMBL24461995 0.88 FURIN (0.37) FURINSIRT6SIRT1SMN1; SMN2C3AR1
SCHEMBL24015397 0.88 FURIN (0.36) FURINSIRT6SIRT1SMN1; SMN2C3AR1
SCHEMBL18818127 0.88 SIRT6 (0.36) FURINSIRT6SIRT1SMN1; SMN2C3AR1
SCHEMBL19101872 0.88 FURIN (0.36) FURINSIRT6SIRT1SMN1; SMN2C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9480754-B2 Phospholipid ether analogs as cancer-targeting drug vehicles CELLECTAR BIOSCIENCES, INC. (US) 2016-11-01 — — US disclosed
US-20160228564-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles CELLECTAR BIOSCIENCES INC (US) 2016-08-11 — — US disclosed
US-9345718-B1 Phospholipid ether analogs as cancer-targeting drug vehicles CELLECTAR BIOSCIENCES, INC. (US) 2016-05-24 — — US disclosed
US-20160136190-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles CELLECTAR BIOSCIENCES, INC. 2016-05-19 — — US disclosed
US-20160136290-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles CELLECTAR BIOSCIENCES, INC. 2016-05-19 — — 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 (3 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-20160136190-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles PHOSPHO1, MCL1, LPCAT3 FURIN 2586/4885SIRT6 2486/4885SIRT1 2554/4885
US-20160228564-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles PHOSPHO1, MCL1, LPCAT3 FURIN 2586/4885SIRT6 2486/4885SIRT1 2554/4885
US-20160136290-A1 Phospholipid Ether Analogs as Cancer-Targeting Drug Vehicles PHOSPHO1, MCL1, LPCAT3 FURIN 2586/4885SIRT6 2486/4885SIRT1 2554/4885

“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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