SCHEMBL13401426

SCHEMBL13401426

CCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCN[C@H](C(=O)NC(CCCNC(N)=O)C(=O)NC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.40
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ FURIN P09958 4/20 0.33
▸ NPY1R P25929 2/20 0.33
▸ NPY4R P50391 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ PRSS1 P07477 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
SCHEMBL13401455 0.94 GLP1R (0.38) GLP1RFURINNPY1RNPY4RMAPT
SCHEMBL13401423 0.90 GLP1R (0.40) GLP1RMMP1MMP3MMP8FURIN
SCHEMBL14012350 0.87 HTT (0.38) GLP1RFURIN
SCHEMBL26264648 0.86 GLP1R (0.41) GLP1RFURINMAPTHSD17B10RXFP1
SCHEMBL13805702 0.85 FURIN (0.32) GLP1RFURINNPY1RNPY4RHSD17B10
SCHEMBL13401460 0.84 GLP1R (0.38) GLP1RFURINRXFP1PRSS1
SCHEMBL14012359 0.83 HTT (0.37) GLP1RFURINNPY1RNPY4R
SCHEMBL14012216 0.83 MEN1 (0.41) GLP1RMAPTHSD17B10
SCHEMBL25773985 0.82 FURIN (0.40) MMP1MMP3MMP8FURINCHRNA1
SCHEMBL22692911 0.82 FURIN (0.40) FURINNPY1RNPY4RRXFP1CHRNA1

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
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 — — US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 — — US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 — — 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-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 GLP1R 894/4885MMP1 3038/4885MMP3 2671/4885

“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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