SCHEMBL5778417

SCHEMBL5778417

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.57
RXFP2 Q8WXD0 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
UBE2M P61081 6/20 0.52
DCUN1D1 Q96GG9 6/20 0.52
ACHE P22303 1/20 0.52
TP53 P04637 2/20 0.50
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL5495090 0.94 MAPT (0.52) CCR2RXFP2RXFP1UBE2MDCUN1D1
SCHEMBL5780708 0.90 P2RX4 (0.46) CCR2RXFP2RXFP1UBE2MDCUN1D1
SCHEMBL5778416 0.89 TRPV1 (0.46) CCR2RXFP2RXFP1UBE2MDCUN1D1
SCHEMBL5778367 0.88 EPHX2 (0.46) CCR2LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5779958 0.87 NPC1 (0.62) RXFP1TP53LMNAMAPTSMN1; SMN2
SCHEMBL5780016 0.85 NPC1 (0.47) CCR2MAPTSMN1; SMN2HTTRAB9A
SCHEMBL5778493 0.85 NPC1 (0.44) CCR2UBE2MDCUN1D1ACHETP53
SCHEMBL5778441 0.84 RAB9A (0.54) LMNAMAPTSMN1; SMN2HTTRAB9A
SCHEMBL5783688 0.84 NPC1 (0.57) TP53LMNAMAPTSMN1; SMN2HTT
SCHEMBL5780781 0.84 RAB9A (0.46) TP53LMNAMAPTSMN1; SMN2MAPK1

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
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-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 CCR2 3/4885RXFP2 790/4885RXFP1 373/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885RXFP2 541/4885RXFP1 197/4885

“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.