SCHEMBL3498709

SCHEMBL3498709

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.64
PIK3CA P42336 3/20 0.64
PLD2 O14939 1/20 0.60
PLD1 Q13393 1/20 0.60
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
NHERF1 O14745 2/20 0.58
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.52
PIN1 Q13526 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MMP13 P45452 1/20 0.49
SMAD3 P84022 1/20 0.49
HDAC2 Q92769 2/20 0.48

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
SCHEMBL8205048 0.89 NHERF1 (0.64) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL8204182 0.89 NHERF1 (0.60) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL10466165 0.88 MAOA (0.71) EGFRPIK3CAMAOAMAOBNHERF1
SCHEMBL22718631 0.87 MAOA (0.56) PLD2PLD1MAOAMAOBNHERF1
SCHEMBL8205586 0.86 NHERF1 (0.68) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL15623149 0.86 PLD2 (0.70) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL4554337 0.86 PIN1 (0.54) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL22718578 0.86 KCNK3 (0.55) EGFRPIK3CAPLD2PLD1MAOA
SCHEMBL1734329 0.84 PIN1 (0.65) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL15224033 0.84 EGFR (0.57) EGFRPIK3CAPLD2PLD1MAOA

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 8 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
EP-2114454-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF Medarex, Inc. (US) 2009-11-11 EP disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 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 (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 3739/4885PLD2 1800/4885

“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.