SCHEMBL3496030

SCHEMBL3496030

CC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.48
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CTSK P43235 4/20 0.43
CTSS P25774 2/20 0.43
SIRT1 Q96EB6 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL3496034 1.00 SIRT5 (0.48) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL17902993 0.92 CA2 (0.46) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL12283259 0.92 CA2 (0.46) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL14012279 0.92 CA2 (0.46) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL20158426 0.92 CA2 (0.46) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL13436625 0.92 CA2 (0.46) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL18811657 0.91 CA1 (0.48) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL23286132 0.91 HDAC8 (0.52) HDAC4HDAC1HDAC8CTSKCTSS
SCHEMBL23286097 0.87 SIRT5 (0.45) SIRT5CA2CA1HDAC4HDAC1
SCHEMBL23900676 0.87 SIRT5 (0.43) SIRT5CA2CA1HDAC4HDAC1

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
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 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
WO-2008103693-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-08-28 WO disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 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 SIRT5 3038/4885CA2 3829/4885CA1 1940/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN SIRT5 2273/4885CA2 4453/4885CA1 1722/4885

“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.