SCHEMBL13311151

SCHEMBL13311151

CC(C)[C@H](NCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.36
▸ FAP Q12884 5/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPY1R P25929 2/20 0.32
▸ NPY4R P50391 2/20 0.32
▸ SIRT2 Q8IXJ6 3/20 0.32
▸ SIRT1 Q96EB6 3/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31

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
SCHEMBL13311080 0.99 FURIN (0.36) FURINFAPOPRK1HTTNPY1R
SCHEMBL13310984 0.92 FAP (0.36) FURINFAPOPRK1HTTNPY1R
SCHEMBL14012282 0.91 FURIN (0.41) FURINFAPOPRK1HTTNPY1R
SCHEMBL13311091 0.91 HTT (0.35) FURINFAPOPRK1HTTNPY1R
SCHEMBL16285990 0.90 FURIN (0.37) FURINFAPHTTSIRT2SIRT1
SCHEMBL13805702 0.88 FURIN (0.32) FURINFAPOPRK1NPY1RNPY4R
SCHEMBL19026373 0.87 FAP (0.39) FURINFAPOPRK1HTTSIRT2
SCHEMBL16327728 0.87 FAP (0.42) FURINFAPOPRK1SIRT2SIRT1
SCHEMBL24898929 0.87 FAP (0.39) FURINFAPOPRK1HTTNPY1R
SCHEMBL19026412 0.87 FAP (0.39) FURINFAPOPRK1HTTNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 — — US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 — — US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 — — US disclosed
US-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF E. R. SQUIBB & SONS, L.L.C. 2010-05-06 — — US disclosed
US-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF E. R. SQUIBB & SONS, L.L.C. 2010-05-06 — — US disclosed
WO-2008103693-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-08-28 — — 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 (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-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF DNPEP, ANTXR2, CLSPN FURIN 449/4885FAP 1295/4885OPRK1 2019/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN FURIN 43/4885FAP 929/4885OPRK1 4075/4885

“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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