SCHEMBL5492667

SCHEMBL5492667

CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)NCCN3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.64
PLAU P00749 2/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALOX12 P18054 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CA2 P00918 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL5495371 0.86 PLAU (0.49) CCR2PLAUNPC1RAB9AALDH1A1
SCHEMBL5492454 0.84 RPS6KA2 (0.46) CCR2NPC1RAB9AKMT2AMEN1
SCHEMBL5487890 0.81 CCR2 (0.44) CCR2F2NPC1RAB9AALDH1A1
SCHEMBL5495759 0.81 CCR2 (0.61) CCR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5495080 0.81 MEN1 (0.49) CCR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5487279 0.80 MGLL (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5488754 0.79 CCR2 (0.62) CCR2PLAUF2PLGPLAT
SCHEMBL5487229 0.79 KMT2A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4123557 0.73 TP53 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5489352 0.73 CCR2 (0.61) CCR2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885PLAU 251/4885F2 1353/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885PLAU 304/4885F2 1569/4885

“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.