SCHEMBL5779189

SCHEMBL5779189

O=CN(C(=O)Nc1ccc(O)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
P2RX5 Q93086 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
P2RX2 Q9UBL9 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 2/20 0.47
KLK7 P49862 1/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5783688 0.91 NPC1 (0.57) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5780935 0.89 NPC1 (0.56) EPHX2P2RX4MAPTNPC1RAB9A
SCHEMBL5781109 0.89 KMT2A (0.59) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5782436 0.89 EPHX2 (0.49) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5781354 0.89 RAB9A (0.59) EPHX2MAPTNPC1RAB9AKMT2A
SCHEMBL5778441 0.89 RAB9A (0.54) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5780677 0.87 FAAH (0.48) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5777680 0.86 NPC1 (0.59) EPHX2MAPTNPC1RAB9AKMT2A
SCHEMBL5778367 0.86 EPHX2 (0.46) EPHX2MAPTHTTNPC1RAB9A
SCHEMBL5780262 0.85 CCR2 (0.55) EPHX2MAPTHTTNPC1RAB9A

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
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
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 EPHX2 1307/4885P2RX5 4391/4885P2RX4 3913/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 EPHX2 2453/4885P2RX5 3711/4885P2RX4 3811/4885

“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.