SCHEMBL5778627

SCHEMBL5778627

Cn1ccc2cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.53
CCR5 P51681 1/20 0.53
MAOB P27338 4/20 0.53
AR P10275 1/20 0.47
KDR P35968 3/20 0.46
BRAF P15056 1/20 0.46
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTR2B P41595 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2C P28335 3/20 0.43
EPHX2 P34913 2/20 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
SCHEMBL5780051 0.92 CCR2 (0.53) CCR2CCR5MAOBARKDR
SCHEMBL5780884 0.83 MAOB (0.51) CCR2MAOBKDRBRAFMEN1
SCHEMBL5779461 0.79 MAOB (0.82) CCR2MAOBMEN1TP53CYP1A2
SCHEMBL5779949 0.78 MAOB (0.60) CCR2MAOBMEN1TP53CYP1A2
SCHEMBL5780609 0.76 MAOB (0.54) MAOBKDRMEN1TP53CYP1A2
SCHEMBL17322470 0.76 MAOB (0.80) MAOBMEN1TP53MAPTKMT2A
SCHEMBL5961536 0.75 CCR2 (0.70) CCR2CCR5MAOBARKDR
SCHEMBL28514997 0.75 MAPT (0.62) MAOBMEN1TP53CYP1A2CYP3A4
SCHEMBL30504235 0.75 MAPT (0.62) MAOBMEN1TP53CYP1A2CYP3A4
SCHEMBL5495737 0.74 CCR2 (0.54) CCR2CCR5ARKDRBRAF

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-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 CCR2 3/4885CCR5 9/4885MAOB 2742/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 5/4885MAOB 3387/4885

“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.