SCHEMBL19057353

SCHEMBL19057353

CN[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)OC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPY4R P50391 2/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ FURIN P09958 7/20 0.37
▸ C3AR1 Q16581 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BIRC2 Q13490 2/20 0.34
▸ PDF Q9HBH1 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
SCHEMBL23393940 0.88 SIRT5 (0.39) NPY4RNPY1RFURINC3AR1
SCHEMBL21915057 0.86 C3AR1 (0.34) FURINC3AR1
SCHEMBL20795891 0.86 FURIN (0.36) NPY4RNPY1RFURINC3AR1
SCHEMBL20159819 0.86 FURIN (0.36) NPY4RNPY1RFURINC3AR1
SCHEMBL23736705 0.86 FURIN (0.36) NPY4RNPY1RFURINC3AR1
SCHEMBL1711524 0.86 C3AR1 (0.44) FOLH1FURINC3AR1
SCHEMBL22001947 0.86 C3AR1 (0.34) FURINC3AR1
SCHEMBL24490420 0.86 C3AR1 (0.34) FURINC3AR1
SCHEMBL21103418 0.86 SIRT5 (0.36) NPY4RNPY1RFURINC3AR1
SCHEMBL20375788 0.86 SIRT5 (0.36) NPY4RNPY1RFURINC3AR1

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-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20170182181-A1 PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES CD47, PLPBP, CHERP FOLH1 66/4885MAPT 675/4885HSD17B10 4089/4885

“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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