SCHEMBL5779906

SCHEMBL5779906

O=C(NC(=O)c1ccc2c(c1)CCO2)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.69
MAOB P27338 5/20 0.61
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
MAPK14 Q16539 1/20 0.49
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
LMNA P02545 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
SCHEMBL5783317 0.85 CCR2 (0.70) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL7758381 0.81 MEN1 (0.75) CCR2NPC1RAB9AMEN1KMT2A
SCHEMBL14364237 0.80 CCR2 (0.64) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL5802844 0.78 CCR2 (0.68) CCR2MAOBNPC1RAB9AMEN1
Ly-295501 SCHEMBL30351 0.77 PKM (0.58) CCR2MAOBNPC1RAB9AMEN1
Ly-295501 SCHEMBL29375534 0.77 PKM (0.58) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL5493355 0.77 CCR2 (0.63) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL5489348 0.77 CCR2 (0.69) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL5489349 0.77 RAB9A (0.71) CCR2MAOBNPC1RAB9AMEN1
SCHEMBL5493182 0.76 CCR2 (0.68) CCR2MAOBNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 CCR2 3/4885MAOB 2742/4885NPC1 332/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885MAOB 3387/4885NPC1 689/4885

“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.