SCHEMBL3497422

SCHEMBL3497422

CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)OC(C)(C)C)cc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.57
PIK3CA P42336 2/20 0.57
LEF1 Q9UJU2 1/20 0.56
PLD2 O14939 1/20 0.56
PLD1 Q13393 1/20 0.56
MMP13 P45452 1/20 0.52
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
KDM4E B2RXH2 2/20 0.47
NHERF1 O14745 1/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PRNP P04156 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC2 Q92769 2/20 0.44

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
SCHEMBL5087408 0.84 LEF1 (0.59) LEF1PLD2PLD1MMP13MAOA
SCHEMBL3498709 0.83 EGFR (0.64) EGFRPIK3CAPLD2PLD1MMP13
SCHEMBL19885734 0.81 LEF1 (0.61) EGFRPIK3CALEF1PLD2PLD1
SCHEMBL5087407 0.81 LEF1 (0.55) LEF1PLD2PLD1MMP13KDM4E
SCHEMBL6619949 0.81 LEF1 (0.81) LEF1PLD2PLD1MMP13KDM4E
SCHEMBL23486667 0.80 MMP13 (0.51) LEF1MMP13KDM4ETP53NPC1
SCHEMBL15623149 0.80 PLD2 (0.70) EGFRPIK3CAPLD2PLD1MMP13
SCHEMBL19901406 0.80 PLD2 (0.66) EGFRPIK3CALEF1PLD2PLD1
SCHEMBL15224033 0.78 EGFR (0.57) EGFRPIK3CAPLD2PLD1MMP13
SCHEMBL3246114 0.78 HRH3 (0.51) LEF1MMP13KDM4ENPC1RAB9A

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-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
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 EGFR 769/4885PIK3CA 3739/4885LEF1 4754/4885

“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.