SCHEMBL13311254

SCHEMBL13311254

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)Cl)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.59
MMP13 P45452 2/20 0.48
TP53 P04637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MMP2 P08253 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PRNP P04156 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PYGL P06737 1/20 0.41
KCNQ2 O43526 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL3030225 0.88 LEF1 (0.60) LEF1MMP13TP53CA12CA1
SCHEMBL6617416 0.87 LEF1 (0.74) LEF1MMP13TP53CA12CA1
SCHEMBL29830077 0.84 LEF1 (0.67) LEF1MMP13TP53KDM4ENPC1
SCHEMBL29783677 0.84 FLT3 (0.59) LEF1FLT3
SCHEMBL20742974 0.84 FLT3 (0.59) LEF1FLT3
SCHEMBL6619949 0.83 LEF1 (0.81) LEF1MMP13TP53KDM4ENPC1
SCHEMBL3027522 0.83 MMP13 (0.72) LEF1MMP13KDM4EMMP2NPC1
SCHEMBL14138263 0.83 LEF1 (0.55) LEF1MMP13TP53CA12CA1
SCHEMBL16756055 0.83 MAOB (0.58) LEF1MMP13CA12CA1CA9
SCHEMBL17055701 0.82 LEF1 (0.53) LEF1MMP13CA12CA1CA9

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-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US 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-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US 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 (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-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN LEF1 4754/4885MMP13 610/4885TP53 8/4885

“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.